Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.47 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6279999 | 0.85 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL27778655 | 0.85 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL2278168 | 0.85 | CYP3A4 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL22641091 | 0.85 | GSK3B (0.53) | GSK3BCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8424293 | 0.84 | GSK3B (0.52) | GSK3BALDH1A1HIF1AMAPK1TRPA1 | |
| SCHEMBL1443571 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL2075296 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL243504 | 0.83 | GSK3B (0.55) | GSK3BCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7620529 | 0.83 | GSK3B (0.55) | GSK3BCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5005689 | 0.82 | GSK3B (0.59) | GSK3BALDH1A1HIF1AMAPK1TRPA1 |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1242080-A4 | DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE | UNIV GEORGETOWN (US) | 2003-01-22 | — | — | EP | claimed |
| EP-1242080-A1 | DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE | GEORGETOWN UNIVERSITY (US) | 2002-09-25 | — | — | EP | claimed |
| WO-2001022964-A1 | DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE | GEORGETOWN UNIVERSITY (US) | 2001-04-05 | — | — | WO | claimed |
| CN-112409226-B | Substituted benzoyl compounds and application thereof | 东莞市东阳光农药研发有限公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-117820076-A | Method for preparing 2, 6-dichlorotoluene by micro-channel reactor | 盐城师范学院 | 2024-04-05 | — | — | CN | disclosed |
| CN-112409263-B | Substituted benzoyl compounds and application thereof | 东莞市东阳光农药研发有限公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-112142671-B | Substituted benzoyl-pyrazoles and application thereof in agriculture | 东莞市东阳光农药研发有限公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-112174889-B | Substituted benzoyl compounds and application thereof in agriculture | 东莞市东阳光农药研发有限公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-112430220-B | Substituted benzoyl compounds and application thereof | 东莞市东阳光农药研发有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-112300092-B | Heterocyclylalkyl-substituted dichlorobenzoyl compounds and application thereof | 东莞市东阳光农药研发有限公司 | 2023-06-09 | — | — | CN | disclosed |
| CN-114773145-A | Method for synthesizing 2, 6-dichlorotoluene by directionally chlorinating o-chlorotoluene with novel composite catalyst | 南京工业大学 | 2022-07-22 | — | — | CN | disclosed |
| EP-0984914-A1 | SUBSTITUTED 2-(3-ALKENYL-BENZOYL)-CYCLOHEXANE-1,3-DIONES | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-15 | — | — | EP | disclosed |
| US-6028035-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-22 | — | — | US | disclosed |
| EP-0960095-A1 | 3-AMINOCARBONYL/3-AMINOTHIOCARBONYL-SUBSTITUTED 2-BENZOYL- CYCLOHEXAN-1,3-DIONES WITH HERBICIDAL EFFECT | BASF AKTIENGESELLSCHAFT (DE) | 1999-12-01 | — | — | EP | disclosed |
| WO-1998050337-A1 | SUBSTITUTED 2-(3-ALKENYL-BENZOYL)-CYCLOHEXANE-1,3-DIONES | BASF AKTIENGESELLSCHAFT (DE) | 1998-11-12 | — | — | WO | disclosed |
| WO-1998037078-A1 | SOLID PHASE AND COMBINATORIAL SYNTHESIS OF SUBSTITUTED THIOPHENES AND OF ARRAYS OF SUBSTITUTED THIOPHENES | NOVO NORDISK A/S (DK) | 1998-08-27 | — | — | WO | disclosed |
| WO-1998029383-A1 | 3-AMINOCARBONYL/3-AMINOTHIOCARBONYL-SUBSTITUTED 2-BENZOYL- CYCLOHEXAN-1,3-DIONES WITH HERBICIDAL EFFECT | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-09 | — | — | WO | disclosed |
| US-5744426-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-28 | — | — | US | disclosed |
| CN-1152305-A | Substituted 3-phenylpyrazoles as herbicides | BASF AG (DE) | 1997-06-18 | — | — | CN | disclosed |
| WO-1995033728-A1 | SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1995-12-14 | — | — | WO | disclosed |