Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14138229 | 0.82 | CES2 (0.34) | CES2CES1ALDH1A1MAPTKDM4E | |
| SCHEMBL12493935 | 0.80 | CES2 (0.43) | CES2CES1ALDH1A1MAPTKDM4E | |
| SCHEMBL1274361 | 0.78 | ALDH1A1 (0.34) | ALDH1A1MAPTLMNAHTTTDP1 | |
| SCHEMBL29577999 | 0.78 | ALDH1A1 (0.34) | ALDH1A1MAPTLMNAHTTTDP1 | |
| SCHEMBL10058199 | 0.76 | ESR1 (0.41) | ALDH1A1MAPTLMNATDP1 | |
| SCHEMBL18163319 | 0.76 | CA3 (0.50) | CES2CES1ALDH1A1MAPTKDM4E | |
| SCHEMBL10145983 | 0.76 | MAP2K2 (0.33) | CA9 | |
| SCHEMBL12069367 | 0.76 | DGAT1 (0.44) | ALDH1A1MAPTLMNAHTTNPC1 | |
| SCHEMBL22744866 | 0.76 | CES2 (0.31) | CES2CES1ALDH1A1KDM4ECA3 | |
| SCHEMBL12231801 | 0.76 | CA12 (0.34) | ALDH1A1MAPTKDM4ELMNAATM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3348547-B1 | BENZIMIDAZOLE DERIVATIVES AS NAV 1.7 (SODIUM CHANNEL, VOLTAGE-GATED, TYPE IX, ALPHA SUBUNIT (SCN9A)) INHIBITORS FOR TREATING PAIN, DYSURIA AND MULTIPLE SCLEROSIS | SUMITOMO DAINIPPON PHARMA CO LTD (JP) | 2020-07-22 | — | — | EP | disclosed |
| EP-3348547-A1 | NOVEL BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE OF SAME | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2018-07-18 | — | — | EP | disclosed |
| CN-105906631-A | Compounds and methods for kinase modulation, and indications therefor | 普莱希科公司 | 2016-08-31 | — | — | CN | disclosed |
| US-20130231327-A1 | Substituted Spiro-Amide Compounds | GRUENENTHAL GMBH (DE) | 2013-09-05 | — | — | US | disclosed |
| US-20130231327-A1 | Substituted Spiro-Amide Compounds | GRUENENTHAL GMBH (DE) | 2013-09-05 | — | — | US | disclosed |
| US-8455475-B2 | Substituted spiro-amide compounds | GRUENENTHAL GMBH (DE) | 2013-06-04 | — | — | US | disclosed |
| US-8455475-B2 | Substituted spiro-amide compounds | GRUENENTHAL GMBH (DE) | 2013-06-04 | — | — | US | disclosed |
| US-20120220588-A1 | QUINAZOLINE COMPOUNDS | GLAXOSMITHKLINE LLC | 2012-08-30 | — | — | US | disclosed |
| US-8252833-B2 | Benzo (f) isoindol-2-ylphenyl acetic acid derivatives as EP4 receptor agonists | GLAXO GROUP LIMITED (GB) | 2012-08-28 | — | — | US | disclosed |
| US-8217064-B2 | Tetrasubstituted benzenes | ENVIVO PHARMACEUTICALS, INC. (US) | 2012-07-10 | — | — | US | disclosed |
| US-20090312388-A1 | Benzo [F] Isoindoles As EP4 Receptor Agonists | GLAXO GROUP LIMITED | 2009-12-17 | — | — | US | disclosed |
| US-20090299072-A1 | Tetrasubstituted Benzenes | EN VIVO PHARMACEUTICALS, INC. | 2009-12-03 | — | — | US | disclosed |
| US-7579346-B2 | (R)-2-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]4-methylvaleramide, for example; inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors | MERCK PATENT GMBH (DE) | 2009-08-25 | — | — | US | disclosed |
| US-7557102-B2 | Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor Xa inhibitors for the treatment of thromboses | MERCK PATENT GMBH (DE) | 2009-07-07 | — | — | US | disclosed |
| US-20090143367-A1 | ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 | ELBION GMBH (DE) | 2009-06-04 | — | — | US | disclosed |
| US-7368459-B2 | Heterocyclic compounds | CHIRON CORPORATION (US) | 2008-05-06 | — | — | US | disclosed |
| US-20080081814-A1 | Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa | CEZANNE BERTRAM | 2008-04-03 | — | — | US | disclosed |
| US-20080076924-A1 | Piperazines as P2X7 antagonists | ABBOTT LABORATORIES | 2008-03-27 | — | — | US | disclosed |
| US-20080070906-A1 | QUINOLINONE DERIVATIVES | NOVARTIS VACCINES AND DIAGNOSTICS, INC. | 2008-03-20 | — | — | US | disclosed |
| WO-2007095340-A2 | SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY | DENDREON CORPORATION (US) | 2007-08-23 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080070906-A1 | QUINOLINONE DERIVATIVES | SLCO1B1, SLCO1B3, SLCO1A2 | CES2 596/4885CES1 979/4885ALDH1A1 274/4885 |
| US-20130231327-A1 | Substituted Spiro-Amide Compounds | BDKRB1, BDKRB2, REN | CES2 4095/4885CES1 1879/4885ALDH1A1 2086/4885 |
| US-20090299072-A1 | Tetrasubstituted Benzenes | BACE1, BACE2, PSEN1 | CES2 782/4885CES1 741/4885ALDH1A1 1401/4885 |
| US-20090312388-A1 | Benzo [F] Isoindoles As EP4 Receptor Agonists | PTGER4, GPR4, PTGER1 | CES2 2616/4885CES1 1959/4885ALDH1A1 1617/4885 |
| US-20080081814-A1 | Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa | F2, F11, F12 | CES2 3291/4885CES1 604/4885ALDH1A1 593/4885 |
| US-20120220588-A1 | QUINAZOLINE COMPOUNDS | NQO2, PRMT7, QDPR | CES2 526/4885CES1 2029/4885ALDH1A1 1930/4885 |
| US-20090143367-A1 | ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 | PDE12, PDE5A, PDE10A | CES2 221/4885CES1 228/4885ALDH1A1 409/4885 |
| US-20080076924-A1 | Piperazines as P2X7 antagonists | P2RX7, P2RX1, P2RX2 | CES2 2062/4885CES1 1903/4885ALDH1A1 852/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.