Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 20/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 18/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 17/20 | 0.65 |
| ▸ | USP2 | O75604 | 16/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 16/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 11/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.64 |
| ▸ | LMNA | P02545 | 8/20 | 0.64 |
| ▸ | TSHR | P16473 | 4/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | CASP1 | P29466 | 2/20 | 0.56 |
| ▸ | CASP7 | P55210 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | HBB | P68871 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21977296 | 0.83 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL22039143 | 0.83 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL9564873 | 0.80 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL9536738 | 0.74 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL9564851 | 0.73 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL29830515 | 0.72 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL9565025 | 0.72 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL9564917 | 0.72 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL9564845 | 0.72 | KCNH2 (0.64) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| Hydrochloric Acid SCHEMBL9564856 | 0.71 | KCNH2 (0.63) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 |
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 4 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 |
| US-5041448-A | Antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-08-20 | — | — | US | disclosed |
| EP-0206415-A2 | (4-Piperidinylmethyl and -hetero)purines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-12-30 | — | — | EP | disclosed |