Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | WHR1 | P49842 | 1/20 | 0.30 |
| ▸ | UBE2M | P61081 | 1/20 | 0.30 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.30 |
| ▸ | CYP46A1 | Q9Y6A2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9564931 | 0.90 | ALDH1A1 (0.34) | LMNA | |
| SCHEMBL9565015 | 0.87 | CHRM2 (0.35) | LMNACYP1A2CYP2C9CYP2C19WHR1 | |
| SCHEMBL9564774 | 0.76 | ALDH1A1 (0.44) | LMNA | |
| SCHEMBL9866590 | 0.74 | OPRM1 (0.43) | LMNACYP1A2 | |
| SCHEMBL9564990 | 0.73 | NR4A2 (0.40) | LMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8207942 | 0.73 | KCNH2 (0.47) | LMNACYP1A2CYP2C19 | |
| SCHEMBL9564775 | 0.72 | OPRM1 (0.48) | LMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9564808 | 0.72 | HTR2A (0.38) | LMNACYP1A2CYP2C19 | |
| SCHEMBL9564925 | 0.72 | CHRM2 (0.38) | LMNACYP2C19 | |
| SCHEMBL9565023 | 0.70 | USP2 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5258380-A | Antiallergens, antihistamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-11-02 | — | — | US | disclosed |
| EP-0206415-A2 | (4-Piperidinylmethyl and -hetero)purines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-12-30 | — | — | EP | disclosed |