Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL13908095 | 0.83 | CYP2C9 (0.42) | CYP2C9CYP2D6CYP1A2HIF1ACYP3A4 | |
| SCHEMBL13908098 | 0.81 | ALDH1A1 (0.51) | CYP2C9CYP2D6CYP3A4MEN1KMT2A | |
| SCHEMBL16644532 | 0.79 | CYP2C19 (0.67) | MEN1KMT2ACYP2C19SMN1; SMN2MAPK1 | |
| SCHEMBL22874147 | 0.79 | HDAC3 (0.50) | CYP2C9CYP3A4MEN1KMT2ACYP2C19 | |
| SCHEMBL7066460 | 0.77 | KMT2A (0.70) | CYP2C9CYP2D6CYP1A2HIF1ACYP3A4 | |
| SCHEMBL56772 | 0.76 | OPRM1 (0.60) | CYP2D6OPRD1OPRK1 | |
| SCHEMBL24992888 | 0.76 | MEN1 (0.55) | CYP2C9CYP2D6CYP1A2HIF1AMEN1 | |
| SCHEMBL22874128 | 0.75 | HSD11B1 (0.64) | MEN1KMT2ACYP2C19SMN1; SMN2HSD17B10 | |
| Sulfuric Acid SCHEMBL3640151 | 0.74 | PNMT (0.43) | KMT2AHPGD | |
| SCHEMBL14141340 | 0.73 | PNMT (0.39) | CYP2D6 |
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-2420491-A1 | 3 , 5-substitued piperidine compounds as renin inhibitors | Novartis AG (CH) | 2012-02-22 | — | — | EP | disclosed |