Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.57 |
| ▸ | CTSS | P25774 | 1/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CLK1 | P49759 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4022715 | 1.00 | CYP2A6 (0.57) | CYP2A6CTSSCYP11B2CYP17A1CYP11B1 | |
| SCHEMBL30338462 | 0.83 | CYP11B2 (0.51) | CYP2A6CYP11B2CYP17A1CYP11B1KDM4E | |
| SCHEMBL2459337 | 0.81 | CHRNB2 (0.63) | KDM4EALDH1A1HPGD | |
| SCHEMBL3194702 | 0.81 | CYP2A6 (0.74) | CYP2A6KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL30518569 | 0.80 | CTSS (0.53) | CTSSCYP1A2CYP3A4SCN9AADORA2A | |
| SCHEMBL317148 | 0.80 | KMT2A (0.60) | CTSSKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL1679762 | 0.78 | CYP3A4 (0.46) | CYP2A6CYP11B2CYP17A1CYP11B1KDM4E | |
| SCHEMBL4855934 | 0.78 | CYP2A6 (0.51) | CYP2A6ALDH1A1HSP90AA1HSP90AB1PTK2 | |
| SCHEMBL1554755 | 0.77 | GRM5 (0.50) | CYP2A6CTSSADORA2AADORA1PTGS2 | |
| SCHEMBL4022718 | 0.77 | CTSS (0.50) | CTSS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022134642-A1 | AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 湃隆生物科技有限公司（香港） | 2022-06-30 | — | — | WO | disclosed |
| WO-2022134641-A1 | AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 湃隆生物科技有限公司（香港） | 2022-06-30 | — | — | WO | disclosed |