Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.35 |
| ▸ | CCR4 | P51679 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6650015 | 0.95 | P2RX7 (0.36) | P2RX7CCR4KDM4EALDH1A1KMT2A | |
| SCHEMBL6650633 | 0.80 | ALDH1A1 (0.38) | P2RX7CCR4KDM4EALDH1A1KMT2A | |
| SCHEMBL6650791 | 0.79 | P2RX7 (0.40) | P2RX7ALDH1A1KMT2AMEN1KDM4A | |
| SCHEMBL6650448 | 0.75 | TRPM5 (0.41) | CCR4KDM4EALDH1A1KMT2AMEN1 | |
| SCHEMBL6652319 | 0.71 | P2RX7 (0.38) | P2RX7KDM4EALDH1A1KMT2AMEN1 | |
| SCHEMBL6654159 | 0.71 | TRPM5 (0.40) | CCR4KDM4EKMT2AMEN1LMNA | |
| SCHEMBL6673116 | 0.70 | HRH1 (0.54) | — | |
| SCHEMBL5599102 | 0.70 | HRH3 (0.33) | KDM4ELMNASMN1; SMN2MAPK1CYP1A2 | |
| SCHEMBL6650105 | 0.69 | NR4A2 (0.42) | P2RX7KDM4EALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL6650585 | 0.67 | HRH3 (0.37) | — |
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 |