Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 5/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20456821 | 0.81 | ERN1 (0.41) | ERN1KDR | |
| SCHEMBL14969291 | 0.81 | ERN1 (0.46) | ERN1CYP2A6CYP2B6CYP2E1CYP11B2 | |
| SCHEMBL20456786 | 0.76 | ERN1 (0.39) | ERN1PDE3BPDE3AKDR | |
| SCHEMBL26104326 | 0.76 | CYP2A6 (0.64) | CYP2A6CYP2B6CYP2E1CYP11B2MAPT | |
| SCHEMBL14879555 | 0.72 | AHR (0.43) | ERN1 | |
| SCHEMBL13083660 | 0.72 | PTGS2 (0.43) | ERN1CYP2A6MAPTCYP2C19RPS6KA3 | |
| SCHEMBL27422573 | 0.71 | CYP2A6 (0.40) | CYP2A6CYP2B6CYP2E1CYP11B2PDE3B | |
| SCHEMBL22657759 | 0.71 | AKR1C2 (0.47) | ERN1CYP2A6 | |
| SCHEMBL31207438 | 0.70 | ALDH1A1 (0.48) | CYP2A6CYP2B6CYP2E1CYP11B2PDE3B | |
| SCHEMBL20456721 | 0.70 | TGFBR1 (0.36) | ERN1KDR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013074387-A1 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |