Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | GBA1 | P04062 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2433049 | 1.00 | ALDH1A1 (0.56) | ALDH1A1GBA1CYP1A2CYP3A4CYP2D6 | |
| Methane SCHEMBL6969354 | 0.98 | ALDH1A1 (0.54) | ALDH1A1GBA1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2230942 | 0.95 | GBA1 (0.50) | ALDH1A1GBA1 | |
| Methane SCHEMBL7288556 | 0.93 | GBA1 (0.49) | ALDH1A1GBA1 | |
| SCHEMBL4869898 | 0.89 | GBA1 (0.58) | ALDH1A1GBA1MAPTSIGMAR1 | |
| Methane SCHEMBL28108223 | 0.87 | GBA1 (0.57) | ALDH1A1GBA1MAPTSIGMAR1 | |
| SCHEMBL27510453 | 0.82 | GBA1 (0.54) | GBA1CYP1A2CYP3A4CYP2D6SIGMAR1 | |
| SCHEMBL17062136 | 0.80 | MAPT (0.53) | ALDH1A1GBA1MAPT | |
| SCHEMBL17062432 | 0.80 | MAPT (0.53) | ALDH1A1GBA1MAPT | |
| SCHEMBL9417740 | 0.79 | CYP1A2 (0.49) | ALDH1A1GBA1CYP1A2CYP3A4CYP2D6 |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2137220-B1 | AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX | COVESTRO DEUTSCHLAND AG (DE) | 2017-10-18 | — | — | EP | disclosed |
| CN-101906060-B | Process for the preparation of N-substituted 3-aminomethylpyrrolidines | ACESYS PHARMATECH NANJING CO LTD | 2012-07-04 | — | — | CN | disclosed |
| EP-1346982-B1 | VLA-4 INHIBITORS | DAIICHI SEIYAKU CO (JP) | 2011-09-14 | — | — | EP | disclosed |
| US-20110190511-A1 | Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto | IM&T RESEARCH, INC. (US) | 2011-08-04 | — | — | US | disclosed |
| US-7981987-B2 | Aromatic urethane acrylates having a high refractive index | BAYER MATERIALSCIENCE AG (DE) | 2011-07-19 | — | — | US | disclosed |
| EP-2323974-A1 | METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO | Ube Industries, Ltd. (JP) | 2011-05-25 | — | — | EP | disclosed |
| CN-101906060-A | Process for the preparation of N-substituted 3-aminomethylpyrrolidines | ACESYS PHARMATECH NANJING CO LTD | 2010-12-08 | — | — | CN | disclosed |
| US-20100152463-A1 | Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto | IM&T RESEARCH, INC. (US) | 2010-06-17 | — | — | US | disclosed |
| WO-2010022001-A1 | METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO | IM&T RESEARCH, INC. (US) | 2010-02-25 | — | — | WO | disclosed |
| EP-2137220-A1 | AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX | Bayer MaterialScience AG (DE) | 2009-12-30 | — | — | EP | disclosed |
| US-6756378-B2 | BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) | PHARMACOPEIA DRUG DISCOVERY, INC. | 2004-06-29 | — | — | US | disclosed |
| US-20040110945-A1 | Vla-4 inhibitors | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-06-10 | — | — | US | disclosed |
| EP-1346982-A1 | VLA-4 INHIBITORS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-09-24 | — | — | EP | disclosed |
| US-20030078249-A1 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-04-24 | — | — | US | disclosed |
| CN-1391473-A | VLA-4 inhibitor compounds | DAIICHI SEIYAKU CO (JP) | 2003-01-15 | — | — | CN | disclosed |
| US-6388083-B2 | ANTAGONIST TO SUBSTANCE P RECEPTORS | MERCK & CO., INC. | 2002-05-14 | — | — | US | disclosed |
| US-20020019532-A1 | Process for the synthesis of (2S)-phenyl-3-piperidone | MERCK & CO., INC. | 2002-02-14 | — | — | US | disclosed |
| US-4212822-A | Preparation of o-dialkylaminomethylphenols | BAYER AKTIENGESELLSCHAFT (DE) | 1980-07-15 | — | — | US | disclosed |
| US-4208423-A | Anticholinergic bronchodilators | SYNTEX INC. (US) | 1980-06-17 | — | — | US | disclosed |
| EP-0012071-A1 | Azoniaspiro derivatives, process for their preparation and pharmaceutical compositions containing them | SYNTEX (U.S.A.) INC. (US) | 1980-06-11 | — | — | EP | 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 (5 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-20030078249-A1 | VLA-4 inhibitor compounds | VCAM1, ICAM1, ITGA4 | ALDH1A1 146/4885GBA1 1178/4885CYP1A2 2573/4885 |
| US-20100152463-A1 | Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto | PFAS, AGPS, FDPS | ALDH1A1 1367/4885GBA1 145/4885CYP1A2 1113/4885 |
| US-20110190511-A1 | Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto | PFAS, AGPS, FDPS | ALDH1A1 1500/4885GBA1 99/4885CYP1A2 838/4885 |
| US-20040110945-A1 | Vla-4 inhibitors | VCAM1, ITGA1, ITGB4 | ALDH1A1 981/4885GBA1 1252/4885CYP1A2 2327/4885 |
| US-20020019532-A1 | Process for the synthesis of (2S)-phenyl-3-piperidone | DHPS, NPEPPS, ALDH18A1 | ALDH1A1 160/4885GBA1 376/4885CYP1A2 13/4885 |
“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.