Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.37 |
| ▸ | PTGIR | P43119 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL8948689 | 0.83 | CYP3A4 (0.35) | CYP3A4CYP1A2CYP2D6CHRM2CHRM4 | |
| SCHEMBL13448667 | 0.80 | SMN1; SMN2 (0.54) | CYP3A4CYP2D6CHRM2CHRM5CHRM1 | |
| SCHEMBL8948673 | 0.80 | SMN1; SMN2 (0.47) | CHRM3BCHEPTGIR | |
| SCHEMBL12464725 | 0.79 | CYP3A4 (0.44) | CYP3A4CYP1A2CYP2D6KDM4ECHRM2 | |
| SCHEMBL9794685 | 0.77 | TAAR1 (0.41) | ALDH1A1MAPK1TAAR1 | |
| SCHEMBL8948824 | 0.77 | BCHE (0.62) | CYP3A4CYP1A2CYP2D6KDM4EBCHE | |
| SCHEMBL28809438 | 0.77 | BCHE (0.62) | CYP3A4CYP1A2CYP2D6KDM4EBCHE | |
| SCHEMBL25153263 | 0.77 | CYP3A4 (0.57) | CYP3A4CYP1A2CYP2D6KDM4ECHRM2 | |
| SCHEMBL7291396 | 0.77 | TAAR1 (0.40) | ALDH1A1MAPK1PTGIRTAAR1 | |
| SCHEMBL8948797 | 0.76 | ATM (0.40) | CYP3A4CYP1A2CYP2D6CHRM3PTGIR |
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 |
|---|---|---|---|---|---|---|---|
| US-5532255-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-02 | — | — | US | disclosed |