Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL8892569 | 0.80 | L3MBTL1 (0.33) | TSHRCYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL6224286 | 0.75 | RAB9A (0.36) | POLBALDH1A1TSHRCYP1A2CYP3A4 | |
| SCHEMBL28380710 | 0.73 | AKR1C3 (0.50) | POLBALDH1A1RAB9AAKR1C3HPGD | |
| SCHEMBL8381457 | 0.70 | RAB9A (0.38) | POLBALDH1A1CYP1A2RAB9ACNR2 | |
| SCHEMBL5565829 | 0.69 | AKR1C3 (0.48) | POLBALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6202434 | 0.67 | CA12 (0.38) | ALDH1A1TSHRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28806438 | 0.67 | PTGS2 (0.58) | RAB9ACNR2NAAACCNE2CCNE1 | |
| SCHEMBL8332698 | 0.66 | CA12 (0.46) | ALDH1A1TSHRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28428778 | 0.65 | AKR1C3 (0.43) | ALDH1A1TSHRABCB1CNR2NAAA | |
| SCHEMBL28423660 | 0.65 | RAB9A (0.51) | POLBALDH1A1TSHRCYP1A2RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1091953-A1 | NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | G.D. Searle & Co. (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001687-A1 | BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | G.D. SEARLE & CO. (US) | 2000-01-13 | — | — | WO | disclosed |
| WO-1997033882-A1 | NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | G.D. SEARLE AND CO. (US) | 1997-09-18 | — | — | WO | disclosed |