Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24450389 | 0.81 | MCL1 (0.48) | MCL1DAOAURKAAURKBINCENP | |
| SCHEMBL797191 | 0.74 | — | — | |
| SCHEMBL5685566 | 0.74 | — | — | |
| SCHEMBL15797736 | 0.73 | MAPT (0.41) | MCL1AURKAAURKBINCENPALDH1A1 | |
| SCHEMBL27319778 | 0.73 | MCL1 (0.44) | MCL1DAOAURKAAURKBINCENP | |
| SCHEMBL1694688 | 0.72 | — | — | |
| SCHEMBL29743274 | 0.72 | — | — | |
| SCHEMBL217278 | 0.72 | — | — | |
| SCHEMBL6641176 | 0.72 | — | — | |
| SCHEMBL25582550 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1663202-A1 | SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) | Aventis Pharmaceuticals, Inc. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005023246-A1 | SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMACEUTICALS INC. (US) | 2005-03-17 | — | — | WO | disclosed |
| EP-1147083-A1 | ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000040554-A1 | ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-07-13 | — | — | WO | disclosed |
| US-5616695-A | YELLOW DYES HAVING GOOD FASTNESS PROPERTIES | CIBA-GEIGY CORPORATION (US) | 1997-04-01 | — | — | US | disclosed |
| EP-0316185-A2 | N-cyanomethyl-2-pyridinone insecticides | THE DOW CHEMICAL COMPANY (US) | 1989-05-17 | — | — | EP | disclosed |