Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6651569 | 0.81 | KMT2A (0.47) | KMT2AALDH1A1POLBTSHRTLR8 | |
| SCHEMBL6115119 | 0.74 | ALDH1A1 (0.69) | KMT2AALDH1A1POLBLMNAHTT | |
| SCHEMBL5600154 | 0.73 | ALDH1A1 (0.48) | KMT2AALDH1A1POLBTLR8 | |
| SCHEMBL9797614 | 0.72 | TYR (0.61) | KMT2ALMNAHTTTSHRCNR2 | |
| SCHEMBL6648269 | 0.71 | KMT2A (0.46) | KMT2AALDH1A1POLBTSHRTLR8 | |
| SCHEMBL6648613 | 0.69 | KCNH2 (0.39) | KMT2AALDH1A1LMNAHTTTSHR | |
| SCHEMBL5705441 | 0.69 | HSP90AA1 (0.36) | KMT2AALDH1A1LMNAHTTTSHR | |
| Hydrochloric Acid SCHEMBL1465868 | 0.69 | ALDH1A1 (0.53) | KMT2AALDH1A1POLBLMNATLR8 | |
| SCHEMBL4908281 | 0.68 | MAPT (0.57) | KMT2AALDH1A1POLBLMNAHTT | |
| SCHEMBL5655366 | 0.68 | ALDH1A1 (0.59) | KMT2AALDH1A1POLBLMNAHTT |
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-1103243-B1 | UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P | ESTEVE LABOR DR (ES) | 2004-01-07 | — | — | EP | claimed |