Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.45 |
| ▸ | USP2 | O75604 | 6/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9565017 | 0.94 | CYP1A2 (0.48) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL9564927 | 0.87 | P2RX7 (0.44) | CYP1A2CYP3A4USP2HIF1ACYP2D6 | |
| SCHEMBL9601946 | 0.85 | HTR7 (0.44) | LMNAP2RX7HTR1ADRD2HTR2A | |
| SCHEMBL10552682 | 0.83 | USP2 (0.47) | CYP1A2CYP3A4USP2HIF1ACYP2D6 | |
| SCHEMBL10546931 | 0.83 | GRIN1 (0.47) | CYP1A2CYP3A4USP2HIF1ACYP2D6 | |
| SCHEMBL9564956 | 0.82 | CYP1A2 (0.54) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL9565027 | 0.81 | SSTR5 (0.55) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| Fumaric Acid SCHEMBL9565037 | 0.81 | USP2 (0.46) | CYP1A2USP2CYP2D6P2RX7HTR1A | |
| SCHEMBL1152886 | 0.80 | LMNA (0.60) | CYP1A2CYP3A4USP2HIF1ACYP2D6 | |
| SCHEMBL10550233 | 0.80 | ACHE (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0206415-B1 | (4-PIPERIDINYLMETHYL AND -HETERO)PURINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-01-27 | — | — | EP | disclosed |