Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.36 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26854526 | 0.91 | ALDH1A1 (0.48) | ALDH1A1OPRM1CYP3A4LMNACYP2D6 | |
| SCHEMBL15998880 | 0.89 | OPRM1 (0.46) | ALDH1A1OPRM1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL25703446 | 0.88 | ALDH1A1 (0.53) | ALDH1A1OPRM1CYP3A4LMNACYP2D6 | |
| SCHEMBL25870846 | 0.86 | CYP1A2 (0.44) | ALDH1A1OPRM1CYP3A4CYP2D6EPHX2 | |
| SCHEMBL21765702 | 0.86 | OPRM1 (0.53) | ALDH1A1OPRM1CYP3A4LMNACYP2D6 | |
| SCHEMBL22802557 | 0.86 | ALDH1A1 (0.59) | ALDH1A1OPRM1LMNAEPHX2CHRNB2 | |
| SCHEMBL24029694 | 0.84 | ALDH1A1 (0.46) | ALDH1A1OPRM1CYP3A4LMNACYP2D6 | |
| SCHEMBL15998891 | 0.82 | ALDH1A1 (0.55) | ALDH1A1OPRM1CYP3A4LMNACYP2D6 | |
| SCHEMBL16127673 | 0.82 | ALDH1A1 (0.55) | ALDH1A1OPRM1LMNAEPHX2USP2 | |
| SCHEMBL18711512 | 0.82 | ALDH1A1 (0.55) | ALDH1A1OPRM1CYP3A4LMNACYP2D6 |
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 |