Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.53 |
| ▸ | CES1 | P23141 | 3/20 | 0.53 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.42 |
| ▸ | CLK1 | P49759 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 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 | |
|---|---|---|---|---|
| SCHEMBL6710893 | 0.86 | CES2 (0.53) | CES2CES1TRPM8CYP11B1CYP11B2 | |
| SCHEMBL29554674 | 0.85 | PKM (0.45) | CYP11B1CYP11B2MLYCDHTTHPGD | |
| SCHEMBL12345357 | 0.85 | CA12 (0.42) | TRPM8CLK1MLYCDMAPTKMT2A | |
| SCHEMBL12093236 | 0.85 | MLYCD (0.39) | TRPM8CLK1MLYCDMAPTMTOR | |
| SCHEMBL19285067 | 0.85 | PKM (0.45) | CYP11B1CYP11B2MLYCDHTTHPGD | |
| SCHEMBL14786153 | 0.84 | TRPM8 (0.53) | TRPM8MTOR | |
| SCHEMBL25298572 | 0.83 | ALDH1A1 (0.45) | CES2CES1TRPM8CLK1CYP11B1 | |
| SCHEMBL10909 | 0.83 | ALDH1A1 (0.45) | CES2CLK1MLYCDMAPTKMT2A | |
| SCHEMBL5636266 | 0.83 | MEN1 (0.41) | CES2CES1TRPM8CLK1MLYCD | |
| SCHEMBL12094656 | 0.83 | CLK1 (0.51) | CLK1HTTMAPTNPSR1DYRK1A |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118525018-A | Bialkyne compound and application thereof | 上海艾力斯医药科技股份有限公司 | 2024-08-20 | — | — | CN | disclosed |
| WO-2023116779-A1 | DIALKYNE COMPOUND AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-06-29 | — | — | WO | disclosed |
| WO-2023116779-A1 | DIALKYNE COMPOUND AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-06-29 | — | — | WO | disclosed |
| US-7745639-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2010-06-29 | — | — | US | disclosed |
| US-7718687-B2 | Dihydropyrrole derivatives; 3-{(2S)-4-(2,5-difluorophenyl)-1-[(dimethylamino)carbonyl]-2,5-dihydro- 1H-pyrrol-2-yl}phenyl dihydrogen phosphate; anticarcinogenic agents; cellular proliferative diseases; specificity; side effect reduction | MERCK SHARP & DOHME CORP., (US) | 2010-05-18 | — | — | US | disclosed |
| US-7718687-B2 | Dihydropyrrole derivatives; 3-{(2S)-4-(2,5-difluorophenyl)-1-[(dimethylamino)carbonyl]-2,5-dihydro- 1H-pyrrol-2-yl}phenyl dihydrogen phosphate; anticarcinogenic agents; cellular proliferative diseases; specificity; side effect reduction | MERCK SHARP & DOHME CORP., (US) | 2010-05-18 | — | — | US | disclosed |
| US-7629373-B2 | Mitotic kinesin inhibitors | MERCK & CO. INC. (US) | 2009-12-08 | — | — | US | disclosed |
| US-7629373-B2 | Mitotic kinesin inhibitors | MERCK & CO. INC. (US) | 2009-12-08 | — | — | US | disclosed |
| US-7625936-B2 | 3,5-Diphenyl-4,5-dihydro-1H-dipyrazole derivatives such as {2-[1-acetyl-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]ethyl}(dimethyl)silanol that are useful for treating cancer | MERCK & CO. INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-7625936-B2 | 3,5-Diphenyl-4,5-dihydro-1H-dipyrazole derivatives such as {2-[1-acetyl-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]ethyl}(dimethyl)silanol that are useful for treating cancer | MERCK & CO. INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-20080032980-A1 | Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-02-07 | — | — | US | disclosed |
| US-20080027118-A1 | Prodrugs Of Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-31 | — | — | US | disclosed |
| US-20080027118-A1 | Prodrugs Of Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-31 | — | — | US | disclosed |
| US-20080027058-A1 | Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-31 | — | — | US | disclosed |
| US-20080027058-A1 | Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-31 | — | — | US | disclosed |
| US-20040229910-A1 | Therapeutic compounds | N.V. ORGANON (NL) | 2004-11-18 | — | — | US | disclosed |
| EP-0898566-B1 | SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION | AKZO NOBEL NV (NL) | 2002-11-06 | — | — | EP | disclosed |
| US-20020037885-A1 | Therapeutic compounds | DIJCKS FREDERICUS ANTONIUS (NL) | 2002-03-28 | — | — | US | disclosed |
| US-6313139-B1 | ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS | AKZO NOBEL N. V. (NL) | 2001-11-06 | — | — | US | disclosed |
| US-6080773-A | USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS | AKZO NOBEL, N.V. (NL) | 2000-06-27 | — | — | US | 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-20080027058-A1 | Mitotic Kinesin Inhibitors | KIF5B, KIF2C, KIF23 | CES2 3601/4885CES1 2436/4885TRPM8 4190/4885 |
| US-20080027118-A1 | Prodrugs Of Mitotic Kinesin Inhibitors | KIF5B, KIF2C, KIF23 | CES2 2124/4885CES1 1227/4885TRPM8 4377/4885 |
| US-20080032980-A1 | Mitotic Kinesin Inhibitors | KIF5B, KIF2C, KIF23 | CES2 3601/4885CES1 2436/4885TRPM8 4190/4885 |
| US-20040229910-A1 | Therapeutic compounds | BDNF, PNMT, SLC18A2 | CES2 353/4885CES1 3442/4885TRPM8 1384/4885 |
| US-20020037885-A1 | Therapeutic compounds | BDNF, PNMT, SLC18A2 | CES2 353/4885CES1 3442/4885TRPM8 1384/4885 |
“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.