Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10077289 | 0.85 | CD44 (0.30) | CD44CYP1A2CYP2A6 | |
| SCHEMBL12810610 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL14199699 | 0.73 | — | — | |
| SCHEMBL14199698 | 0.72 | CA2 (0.37) | — | |
| SCHEMBL12810514 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL16152376 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL257640 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL18678027 | 0.68 | CYP1A2 (0.42) | CYP1A2CYP2A6 | |
| SCHEMBL14199960 | 0.67 | HTR1B (0.43) | — | |
| SCHEMBL22919895 | 0.65 | ALDH1A1 (0.31) | CD44CYP1A2CYP2A6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2298757-A2 | Urea compounds active as vanilloid receptor antagonist for the treatment of pain | Glaxo Group Limited (GB) | 2011-03-23 | — | — | EP | disclosed |
| EP-2036902-A2 | Urea compounds active as vanilloid receptor antagonist for the treatment of pain | Glaxo Group Limited (GB) | 2009-03-18 | — | — | EP | disclosed |
| WO-2003088954-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CANCER | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2003-10-30 | — | — | WO | disclosed |