Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP1 | P24666 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | KMO | O15229 | 2/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28205243 | 0.76 | CYP1A2 (0.53) | CYP1A2CYP3A4KMOCYP2C19CYP2D6 | |
| SCHEMBL15775490 | 0.73 | ACP1 (0.46) | ACP1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL2522143 | 0.70 | ADORA2B (0.36) | CYP1A2CYP3A4CYP2C19CYP2D6LMNA | |
| SCHEMBL6220346 | 0.70 | MAPK11 (0.40) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL14529195 | 0.68 | ACP1 (0.64) | ACP1CYP1A2CYP3A4KMOCYP2C19 | |
| SCHEMBL11365494 | 0.66 | ACP1 (0.49) | ACP1CYP1A2CYP3A4KMOATR | |
| SCHEMBL11372118 | 0.66 | KDM4E (0.43) | ACP1CYP1A2CYP3A4KMOATR | |
| SCHEMBL11365055 | 0.66 | KDM4E (0.43) | ACP1CYP1A2CYP3A4KMOATR | |
| SCHEMBL14529404 | 0.66 | ACP1 (0.51) | ACP1CYP1A2CYP3A4KMOATR | |
| SCHEMBL27591971 | 0.66 | ALDH1A1 (0.46) | HSD17B10KDM4EMEN1ALDH1A1TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1562934-A1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004046133-A1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2004-06-03 | — | — | WO | disclosed |