Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15688118 | 0.81 | TYR (0.46) | TYRKDM4EALDH1A1GAA | |
| SCHEMBL3413433 | 0.81 | TDP1 (0.35) | MAOACYP3A4CHRM1ADRA1AHTR2B | |
| SCHEMBL27480141 | 0.79 | ESR2 (0.41) | ESR1ESR2MAOACYP3A4CHRM1 | |
| SCHEMBL15111101 | 0.79 | CA1 (0.33) | ALOX15KDM4EALDH1A1 | |
| SCHEMBL1554814 | 0.78 | MIF (0.39) | ESR1ESR2MAOAKDM4EALDH1A1 | |
| SCHEMBL2489407 | 0.78 | HDAC4 (0.33) | KDM4EALDH1A1 | |
| SCHEMBL27607823 | 0.77 | ESR2 (0.41) | ESR1ESR2MAOACYP3A4CHRM1 | |
| SCHEMBL28028517 | 0.76 | ESR2 (0.45) | ESR1ESR2MAOACYP3A4CHRM1 | |
| SCHEMBL14992458 | 0.75 | CYP3A4 (0.38) | MAOACYP3A4CHRM1ALOX15TBXA2R | |
| SCHEMBL22346875 | 0.74 | CYP3A4 (0.33) | CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1583742-A1 | NOVEL CB 1 RECEPTOUR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004060870-A1 | NOVEL CB 1 RECEPTOUR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-07-22 | — | — | WO | disclosed |
| EP-1086097-A1 | SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS | PFIZER INC. (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999064415-A1 | SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-12-16 | — | — | WO | disclosed |