Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL27892139 | 0.89 | HTR2A (0.42) | KCNH2NOS1MAOBMAOADAO | |
| SCHEMBL29869051 | 0.87 | HTR2A (0.41) | KCNH2NOS1MAOBMAOADAO | |
| SCHEMBL28221103 | 0.87 | HTR2A (0.41) | KCNH2NOS1MAOBMAOADAO | |
| SCHEMBL29272 | 0.82 | ALDH1A1 (0.46) | MAOBTAAR1ALDH1A1HPGDRAB9A | |
| Benzene SCHEMBL27499662 | 0.82 | ALDH1A1 (0.46) | MAOBTAAR1ALDH1A1HPGDRAB9A | |
| SCHEMBL11066734 | 0.80 | TSHR (0.45) | TAAR1ALDH1A1NPC1RAB9ATDP1 | |
| SCHEMBL9508013 | 0.80 | ALDH1A1 (0.44) | MAOBTAAR1ALDH1A1HPGDRAB9A | |
| Nitrous Acid SCHEMBL28299073 | 0.79 | HDAC8 (0.38) | NOS1MAOBMAOADAOHTR2A | |
| SCHEMBL10469971 | 0.78 | HTR1A (0.62) | — | |
| SCHEMBL28026394 | 0.77 | TSHR (0.56) | NPC1RAB9ASMN1; SMN2 |
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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1797093-B1 | NOVEL 3-METHYL-7-BUTINYL-XANTHINES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | claimed |
| EP-0842158-A1 | MICROBICIDAL 2-PHENYLETHYL-MERCAPTO-TRIAZOLES | BAYER AG (DE) | 1998-05-20 | — | — | EP | claimed |
| WO-1997005119-A1 | MICROBICIDAL 2-PHENYLETHYL-MERCAPTO-TRIAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-02-13 | — | — | WO | claimed |
| US-4921870-A | Fungicidal novel substituted phenethyl-triazolyl derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1990-05-01 | — | — | US | claimed |
| US-4771065-A | Fungicidal novel substituted phenethyl-triazolyl derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1988-09-13 | — | — | US | claimed |
| EP-0119572-B1 | SUBSTITUTED PHENETHYL-TRIAZOLYL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1988-08-10 | — | — | EP | claimed |
| EP-0000017-B1 | 1-(2-PHENYLETHYL)-TRIAZOLIUM SALTS, THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1981-09-30 | — | — | EP | claimed |
| EP-0000018-B1 | METAL SALT COMPLEXES OF 1-PHENYL-2-TRIAZOLYL-ETHANE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1981-01-07 | — | — | EP | claimed |
| CN-113754601-B | Synthesis method of N2-beta-sulfanyl triazole derivative | 周口师范学院 | 2023-04-11 | — | — | CN | disclosed |
| CN-113754601-A | Synthesis method of N2-beta-sulfanyl triazole derivative | 周口师范学院 | 2021-12-07 | — | — | CN | disclosed |
| EP-2167491-A1 | 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS | Abbott Laboratories (US) | 2010-03-31 | — | — | EP | disclosed |
| US-7495002-B2 | 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-02-24 | — | — | US | disclosed |
| WO-2008154241-A1 | 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS | ABBOTT LABORATORIES (US) | 2008-12-18 | — | — | WO | disclosed |
| EP-1121361-B1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2007-08-29 | — | — | EP | disclosed |
| EP-0063099-B1 | PROCESS FOR THE PREPARATION OF PHENYLETHYL TRIAZOLES | CIBA-GEIGY AG (CH) | 1985-11-27 | — | — | EP | disclosed |
| EP-0119572-A2 | Substituted phenethyl-triazolyl derivatives, process for their preparation and their use as fungicides | BAYER AG (DE) | 1984-09-26 | — | — | EP | disclosed |
| US-4366152-A | Combatting fungi with metal salt complexes of 1-phenyl-2-(1,2,4-triazol-1-yl)-ethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1982-12-28 | — | — | US | disclosed |
| EP-0063099-A2 | Process for the preparation of phenylethyl triazoles | CIBA-GEIGY AG (CH) | 1982-10-20 | — | — | EP | disclosed |
| EP-0000018-B1 | METAL SALT COMPLEXES OF 1-PHENYL-2-TRIAZOLYL-ETHANE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1981-01-07 | — | — | EP | disclosed |
| EP-0000018-A1 | Metal salt complexes of 1-phenyl-2-triazolyl-ethane derivatives, their preparation and their use as fungicides | BAYER AG (DE) | 1978-12-20 | — | — | EP | disclosed |