Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | 0.96 | CXCR4 (0.36) | CXCR4KDM4EHRH3CYP2A13SMN1; SMN2 | |
| SCHEMBL5163035 | 0.79 | CCR3 (0.50) | KDM4ESIGMAR1ALDH1A1 | |
| SCHEMBL6273564 | 0.78 | HRH3 (0.34) | KDM4EHRH3SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5177492 | 0.78 | ALDH1A1 (0.43) | CXCR4KDM4EHRH3SMN1; SMN2KMT2A | |
| SCHEMBL5175965 | 0.75 | ALDH1A1 (0.43) | CXCR4KDM4EHRH3SMN1; SMN2KMT2A | |
| SCHEMBL4657761 | 0.74 | HRH3 (0.52) | CXCR4KDM4EHRH3CYP2A13SMN1; SMN2 | |
| SCHEMBL22561509 | 0.69 | CYP2A13 (0.49) | CXCR4KDM4EHRH3CYP2A13SMN1; SMN2 | |
| SCHEMBL2978126 | 0.67 | GAA (0.41) | HRH3SMN1; SMN2RAB9ATSHRALDH1A1 | |
| SCHEMBL4658989 | 0.66 | DRD2 (0.54) | KMT2ACYP3A4CYP2C19TSHRSIGMAR1 | |
| SCHEMBL2980038 | 0.66 | GAA (0.42) | HRH3SMN1; SMN2RAB9ATSHRALDH1A1 |
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 |