Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | RARG | P13631 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4832582 | 0.95 | ALDH1A1 (0.48) | ALDH1A1ITGB3ITGA2BABCB1SMN1; SMN2 | |
| SCHEMBL4832572 | 0.95 | ALDH1A1 (0.48) | ALDH1A1ITGB3ITGA2BABCB1SMN1; SMN2 | |
| SCHEMBL31422729 | 0.89 | ALDH1A1 (0.53) | ALDH1A1ITGB3ITGA2BABCB1SMN1; SMN2 | |
| SCHEMBL5421388 | 0.89 | ALDH1A1 (0.53) | ALDH1A1ITGB3ITGA2BABCB1SMN1; SMN2 | |
| SCHEMBL15876121 | 0.89 | SLC7A5 (0.43) | ALDH1A1ITGB3ITGA2BABCB1SMN1; SMN2 | |
| SCHEMBL2957718 | 0.88 | ALDH1A1 (0.51) | ALDH1A1ITGB3ITGA2BABCB1SMN1; SMN2 | |
| SCHEMBL5146905 | 0.88 | ALDH1A1 (0.51) | ALDH1A1ITGB3ITGA2BABCB1SMN1; SMN2 | |
| SCHEMBL31087109 | 0.85 | ALDH1A1 (0.49) | ALDH1A1ITGB3ITGA2BABCB1SMN1; SMN2 | |
| SCHEMBL9697569 | 0.85 | FOLH1 (0.51) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL7473612 | 0.83 | ALDH1A1 (0.51) | ALDH1A1ABCB1SMN1; SMN2MAPK1L3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113004283-B | Tetracyclic compounds as plasma kallikrein inhibitors and uses thereof | 成都康弘药业集团股份有限公司 | 2022-08-12 | — | — | CN | disclosed |
| CN-113004286-B | Tricyclic compounds as plasma kallikrein inhibitors and uses thereof | 成都康弘药业集团股份有限公司 | 2022-08-12 | — | — | CN | disclosed |
| CN-113004284-B | Tetracyclic compounds as plasma kallikrein inhibitors and uses thereof | 成都康弘药业集团股份有限公司 | 2022-08-12 | — | — | CN | disclosed |
| US-5444061-A | Antitumor agents | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1995-08-22 | — | — | US | disclosed |
| WO-1992016512-A1 | ANTI-CANCER COMPOUNDS | BRITISH TECHNOLOGY GROUP PLC (GB) | 1992-10-01 | — | — | WO | disclosed |