Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | NT5E | P21589 | 2/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | ACP1 | P24666 | 4/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | DHODH | Q02127 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4031373 | 0.88 | ABCG2 (0.52) | ABCG2NT5EMAP4K4ACP1DHODH | |
| SCHEMBL4026944 | 0.87 | CLK4 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL4026246 | 0.85 | LMNA (0.50) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL4025241 | 0.85 | ACP1 (0.44) | ABCG2NT5EMAP4K4ACP1ALDH1A1 | |
| SCHEMBL4025363 | 0.84 | ABCG2 (0.48) | CYP3A4ABCG2NT5EMAP4K4ACP1 | |
| SCHEMBL4024602 | 0.83 | PDE10A (0.50) | CYP2C9 | |
| SCHEMBL4032316 | 0.83 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL4023370 | 0.81 | NT5E (0.49) | ABCG2NT5EMAP4K4ACP1ALDH1A1 | |
| SCHEMBL4816411 | 0.80 | ABCG2 (0.52) | ABCG2NT5EMAP4K4ACP1DHODH | |
| SCHEMBL4021555 | 0.80 | NT5E (0.48) | CLK4ABCG2NT5EMAP4K4ACP1 |
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-1339690-B1 | N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN | ASTRAZENECA AB (SE) | 2009-01-21 | — | — | EP | disclosed |