Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.60 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.54 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.54 |
| ▸ | ITGAV | P06756 | 1/20 | 0.54 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.54 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.54 |
| ▸ | MTOR | P42345 | 1/20 | 0.52 |
| ▸ | DPP4 | P27487 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL10827466 | 0.99 | NPC1 (0.62) | NPC1SMN1; SMN2RAB9AALDH1A1CYP2C9 | |
| SCHEMBL1097863 | 0.96 | NPC1 (0.62) | NPC1SMN1; SMN2RAB9AALDH1A1CYP2C9 | |
| SCHEMBL4186674 | 0.88 | KMT2A (0.76) | NPC1SMN1; SMN2RAB9AALDH1A1CYP2C9 | |
| SCHEMBL27627515 | 0.87 | ALDH1A1 (0.79) | NPC1SMN1; SMN2RAB9AALDH1A1CYP2C9 | |
| SCHEMBL28721213 | 0.86 | CCR1 (0.62) | SMN1; SMN2KMT2ATHRBALOX12MTOR | |
| SCHEMBL5735075 | 0.84 | ALDH1A1 (0.74) | SMN1; SMN2RAB9AALDH1A1CYP2C9KMT2A | |
| SCHEMBL7309663 | 0.84 | THRB (0.70) | NPC1SMN1; SMN2RAB9AALDH1A1CYP2C9 | |
| SCHEMBL23418057 | 0.83 | ALDH1A1 (0.70) | NPC1SMN1; SMN2RAB9AALDH1A1CYP2C9 | |
| SCHEMBL31717915 | 0.82 | CCR1 (0.59) | CYP2C9CYP2C19KMT2ATHRBALOX12 | |
| SCHEMBL10364533 | 0.82 | ITGB3 (0.58) | NPC1SMN1; SMN2RAB9AALDH1A1CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114591212-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-108289893-B | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2022-04-12 | — | — | CN | disclosed |
| EP-1268419-B1 | PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS | APPLIED RESEARCH SYSTEMS (AN) | 2006-06-21 | — | — | EP | disclosed |
| EP-1268418-B1 | PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS | APPLIED RESEARCH SYSTEMS (AN) | 2006-06-14 | — | — | EP | disclosed |