Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | KRAS | P01116 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30076308 | 0.79 | KRAS (0.36) | TRPV1CYP11B2CYP11B1KRASSOS1 | |
| SCHEMBL23336690 | 0.78 | KRAS (0.37) | TRPV1CYP11B2CYP11B1CYP19A1CYP1A2 | |
| SCHEMBL24034819 | 0.77 | CD274 (0.37) | KRASSOS1 | |
| SCHEMBL30076343 | 0.76 | CYP19A1 (0.39) | CYP11B2CYP11B1CYP19A1TRIM24CYP3A4 | |
| SCHEMBL23336775 | 0.75 | AR (0.38) | TRPV1CYP11B2CYP11B1KRASSOS1 | |
| SCHEMBL15964517 | 0.75 | KRAS (0.35) | CYP11B2CYP11B1KRASSOS1PDE3B | |
| SCHEMBL10274617 | 0.74 | CYP11B2 (0.40) | TRPV1CYP11B2CYP11B1KRASSOS1 | |
| SCHEMBL23336701 | 0.74 | KRAS (0.34) | TRPV1CYP11B2CYP11B1KRASSOS1 | |
| SCHEMBL31376465 | 0.74 | POLB (0.39) | TRPV1KRASSOS1PDE3BPDE3A | |
| SCHEMBL12713588 | 0.73 | KMO (0.46) | PDE3BPDE3A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021228173-A1 | AZEPINE FUSED RING COMPOUNDS AND MEDICAL USES THEREOF | 中国医药研究开发中心有限公司 | 2021-11-18 | — | — | WO | disclosed |