Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.37 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15998851 | 0.90 | ALDH1A1 (0.47) | CYP1A2OPRM1ALDH1A1MAPK1BLM | |
| SCHEMBL25876408 | 0.86 | ALDH1A1 (0.50) | CYP1A2OPRM1ALDH1A1EPHX2USP2 | |
| SCHEMBL21480105 | 0.86 | ALDH1A1 (0.45) | CYP1A2OPRM1ALDH1A1BLMEPHX2 | |
| SCHEMBL25561799 | 0.85 | OPRM1 (0.45) | CYP1A2HIF1AOPRM1ALDH1A1MAPK1 | |
| SCHEMBL15998880 | 0.83 | OPRM1 (0.46) | OPRM1ALDH1A1USP2CYP3A4CYP2D6 | |
| SCHEMBL25703446 | 0.82 | ALDH1A1 (0.53) | CYP1A2HIF1AOPRM1ALDH1A1MAPK1 | |
| SCHEMBL26854526 | 0.81 | ALDH1A1 (0.48) | OPRM1ALDH1A1BLMEPHX2USP2 | |
| SCHEMBL26868241 | 0.81 | CYP1A2 (0.54) | CYP1A2ALDH1A1CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL802314 | 0.81 | CYP1A2 (0.54) | CYP1A2ALDH1A1BLMKMT2AHTR1A | |
| SCHEMBL21765702 | 0.79 | OPRM1 (0.53) | CYP1A2OPRM1ALDH1A1MAPK1BLM |
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-2023116920-A1 | PENTA- FUSED HEXA-HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | 杭州多域生物技术有限公司 | 2023-06-29 | — | — | WO | disclosed |