Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | ERN1 | O75460 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4799732 | 0.84 | SQOR (0.49) | NPC1RAB9AALDH1A1HSD17B10GAA | |
| SCHEMBL30772447 | 0.84 | SQOR (0.49) | NPC1RAB9AALDH1A1HSD17B10GAA | |
| SCHEMBL12427715 | 0.82 | SQOR (0.46) | NPC1RAB9AALDH1A1HSD17B10GAA | |
| SCHEMBL5782678 | 0.77 | ERN1 (0.61) | NPC1ERN1RAB9AALDH1A1CYP2A6 | |
| SCHEMBL28362190 | 0.75 | ERN1 (0.47) | NPC1ERN1ALDH1A1CYP2A6CYP3A4 | |
| SCHEMBL12427721 | 0.74 | KDM1A (0.45) | ALDH1A1HSD17B10GAAKDM4EHPGD | |
| SCHEMBL19737563 | 0.73 | TTK (0.49) | NPC1ERN1ALDH1A1CYP2A6CYP3A4 | |
| SCHEMBL7677974 | 0.73 | ERN1 (0.69) | NPC1ERN1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL19737559 | 0.72 | LIMK1 (0.48) | NPC1ERN1RAB9ACYP2A6KDM4E | |
| SCHEMBL12427716 | 0.72 | F2RL3 (0.40) | RAB9AALDH1A1KDM4EHPGD |
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-117327078-A | Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-02 | — | — | CN | disclosed |
| CN-117263945-A | Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-113316578-B | Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-113316578-A | Heterocyclic compounds, pharmaceutical compositions containing them, processes for their preparation and their use | 四川科伦博泰生物医药股份有限公司 | 2021-08-27 | — | — | CN | disclosed |