Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 13/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.45 |
| ▸ | USP2 | O75604 | 11/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CCR3 | P51677 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | HBB | P68871 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9564763 | 0.89 | CYP1A2 (0.54) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL9564956 | 0.85 | CYP1A2 (0.54) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL9865735 | 0.84 | KCNH2 (0.58) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL10548374 | 0.83 | KCNH2 (0.47) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL10547454 | 0.81 | KCNH2 (0.50) | CYP1A2CYP3A4USP2CYP2C19CYP2D6 | |
| SCHEMBL10552801 | 0.81 | KCNH2 (0.50) | CYP1A2CYP3A4USP2CYP2C19CYP2D6 | |
| SCHEMBL9536738 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL9564971 | 0.78 | USP2 (0.45) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL9602457 | 0.77 | CYP1A2 (0.45) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL9564851 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 |
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 3 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-B1 | (4-PIPERIDINYLMETHYL AND -HETERO)PURINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-01-27 | — | — | EP | disclosed |
| EP-0206415-A2 | (4-Piperidinylmethyl and -hetero)purines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-12-30 | — | — | EP | disclosed |