Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL51106 | 0.76 | GABRA1 (0.52) | GABRA1GABRB2TSHRHPGDPOLB | |
| SCHEMBL982045 | 0.76 | GABRA1 (0.52) | GABRA1GABRB2TSHRHPGDPOLB | |
| SCHEMBL2645544 | 0.75 | GABRA1 (0.56) | GABRA1GABRB2TSHRHPGDPOLB | |
| SCHEMBL3782815 | 0.74 | IDO1 (0.52) | TSHRGAA | |
| SCHEMBL984999 | 0.74 | MAPT (0.50) | GABRA1GABRB2TSHRHPGDPOLB | |
| SCHEMBL11604865 | 0.74 | GABRA1 (0.50) | GABRA1GABRB2TSHRHPGDPOLB | |
| SCHEMBL29405346 | 0.74 | MAPT (0.50) | GABRA1GABRB2TSHRHPGDPOLB | |
| SCHEMBL1193669 | 0.74 | DPP4 (0.47) | TSHRLMNAMTORRAB9ACYP2D6 | |
| SCHEMBL3080400 | 0.73 | GABRA1 (0.54) | GABRA1GABRB2TSHRHPGDPOLB | |
| SCHEMBL755644 | 0.73 | TYR (0.66) | GABRA1GABRB2TSHRHPGDPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997033882-A9 | NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | — | 1998-02-26 | — | — | WO | disclosed |