Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.33 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.33 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.33 |
| ▸ | P2RY1 | P47900 | 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 | |
|---|---|---|---|---|
| SCHEMBL6174515 | 0.89 | ALDH1A1 (0.45) | ALDH1A1CYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL6172844 | 0.89 | CYP3A4 (0.40) | ALDH1A1CYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL6173454 | 0.88 | CYP2C9 (0.41) | ALDH1A1CYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL6175647 | 0.88 | ALDH1A1 (0.38) | ALDH1A1CYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL6174412 | 0.88 | MAPT (0.39) | ALDH1A1CYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL6173573 | 0.87 | CACNA1H (0.41) | ALDH1A1CYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL6278206 | 0.87 | TRPV1 (0.49) | ALDH1A1TRPV1KDM5AKDM4CKDM5B | |
| SCHEMBL6173899 | 0.87 | ALDH1A1 (0.39) | ALDH1A1CYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL6174469 | 0.85 | TDP1 (0.42) | ALDH1A1CYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL6173479 | 0.85 | ALDH1A1 (0.44) | ALDH1A1CYP3A4GAACYP2C9CYP2C19 |
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-1599464-A2 | NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS | Aventis Pharma S.A. (FR) | 2005-11-30 | — | — | EP | disclosed |
| WO-2004070050-A2 | CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS | AVENTIS PHARMA S.A. (FR) | 2004-08-19 | — | — | WO | disclosed |