Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL6272806 | 0.79 | CXCR4 (0.36) | HRH3KDM4ENPC1ALDH1A1CYP3A4 | |
| SCHEMBL6271133 | 0.78 | CXCR4 (0.35) | HRH3KDM4ENPC1ALDH1A1CYP3A4 | |
| SCHEMBL4659048 | 0.71 | HRH3 (0.54) | HRH3KDM4EALDH1A1 | |
| SCHEMBL4657901 | 0.69 | HRH3 (0.50) | HRH3KDM4EALDH1A1 | |
| SCHEMBL5163035 | 0.68 | CCR3 (0.50) | KDM4EALDH1A1 | |
| SCHEMBL2979691 | 0.67 | GAA (0.38) | HRH3KDM4EALDH1A1HSD17B10 | |
| SCHEMBL5175965 | 0.65 | ALDH1A1 (0.43) | HRH3KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5177492 | 0.65 | ALDH1A1 (0.43) | HRH3KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL4657919 | 0.65 | HRH3 (0.61) | HRH3KDM4EALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL4657761 | 0.65 | HRH3 (0.52) | HRH3KDM4EALDH1A1CYP2C9HPGD |
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-1578416-A1 | MEDICAMENTS CONTAINING SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES | Grünenthal GmbH (DE) | 2005-09-28 | — | — | EP | claimed |
| WO-2004058248-A1 | MEDICAMENTS CONTAINING SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES | Grünenthal GmbH (DE) | 2004-07-15 | — | — | WO | claimed |