Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | BCR | P11274 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1578362 | 0.89 | MEN1 (0.50) | CA1CA2MAOBALDH1A1HPGD | |
| SCHEMBL14907071 | 0.84 | TSHR (0.56) | ALDH1A1HPGDMEN1KMT2ACYP3A4 | |
| SCHEMBL1577931 | 0.82 | TSHR (0.54) | ALDH1A1HPGDCYP3A4KCNH2 | |
| SCHEMBL453782 | 0.81 | TDP1 (0.56) | CA1CA2MAOBCA12CA7 | |
| SCHEMBL29473775 | 0.81 | CA1 (0.51) | CA1CA2MAOBAURKAAURKB | |
| Hydrochloric Acid SCHEMBL6574161 | 0.80 | ALDH1A1 (0.57) | MAOBABL1ABCB1BCRALDH1A1 | |
| SCHEMBL29233386 | 0.80 | ACHE (0.50) | MAOBABL1ABCB1BCRALDH1A1 | |
| SCHEMBL13301732 | 0.80 | CA1 (0.50) | CA1CA2MAOBAURKAAURKB | |
| SCHEMBL6572471 | 0.79 | NR4A1 (0.44) | ABL1ABCB1BCRALDH1A1MEN1 | |
| SCHEMBL5532978 | 0.79 | CYP3A4 (0.50) | MAOBALDH1A1HPGDMEN1KMT2A |
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-2002018364-A2 | PROCESS FOR PREPARING 2-PHENYL-3-AMINOBENZOTHIOPHENES | ELI LILLY AND COMPANY (US) | 2002-03-07 | — | — | WO | disclosed |