Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 14/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.50 |
| ▸ | USP2 | O75604 | 11/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 8/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | CASP7 | P55210 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL9699718 | 0.82 | HRH1 (0.56) | CYP2D6HRH1TP53 | |
| SCHEMBL9564902 | 0.82 | USP2 (0.51) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL9564841 | 0.81 | USP2 (0.49) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL9629419 | 0.79 | USP2 (0.48) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL9564944 | 0.78 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL9564864 | 0.75 | ALDH1A1 (0.51) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL9565029 | 0.73 | ALDH1A1 (0.51) | CYP1A2CYP3A4USP2CYP2C19MAP4K4 | |
| SCHEMBL9564977 | 0.72 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL9564982 | 0.72 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9USP2CYP2C19 | |
| SCHEMBL9564974 | 0.72 | CYP1A2 (0.46) | 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 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 |
| 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 |