Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | GPR3 | P46089 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19760754 | 1.00 | PNMT (0.33) | PNMTCYP1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19760752 | 1.00 | PNMT (0.33) | PNMTCYP1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24026964 | 0.88 | CCKBR (0.35) | PNMTCYP1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29317134 | 0.67 | GPR3 (0.40) | PNMTCYP1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3062843 | 0.67 | GRIN2D (0.42) | — | |
| SCHEMBL19760715 | 0.66 | GPER1 (0.37) | PNMT | |
| SCHEMBL29611854 | 0.64 | PNMT (0.62) | PNMT | |
| SCHEMBL26837118 | 0.63 | PNMT (0.50) | PNMT | |
| SCHEMBL24026979 | 0.60 | GPER1 (0.38) | PNMT | |
| SCHEMBL30071485 | 0.57 | GPR3 (0.35) | PNMTGPR3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109311876-B | Heteroaryl estrogen receptor modulators and uses thereof | 豪夫迈·罗氏有限公司 | 2022-05-03 | — | — | CN | disclosed |