Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | RRM1 | P23921 | 1/20 | 0.47 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5269921 | 0.98 | CES2 (0.53) | CES2CHRM2CHRM4CHRM1ALDH1A1 | |
| SCHEMBL12134906 | 0.98 | CES2 (0.52) | CES2CHRM2CHRM4CHRM1ALDH1A1 | |
| SCHEMBL27752426 | 0.92 | CES2 (0.55) | CES2CHRM2CHRM4CHRM1ALDH1A1 | |
| SCHEMBL904746 | 0.92 | CES2 (0.55) | CES2CHRM2CHRM4CHRM1ALDH1A1 | |
| SCHEMBL17374802 | 0.92 | CES2 (0.55) | CES2CHRM2CHRM4CHRM1ALDH1A1 | |
| SCHEMBL11395919 | 0.92 | CES2 (0.55) | CES2CHRM2CHRM4CHRM1ALDH1A1 | |
| SCHEMBL17282698 | 0.91 | DPP7 (0.49) | CES2CHRM2CHRM4CHRM1ALDH1A1 | |
| SCHEMBL17282719 | 0.91 | DPP7 (0.49) | CES2CHRM2CHRM4CHRM1ALDH1A1 | |
| SCHEMBL10828145 | 0.89 | FAAH (0.61) | CHRM1 | |
| SCHEMBL32676262 | 0.89 | DPP7 (0.53) | CES2CHRM2CHRM4CHRM1DPP7 |
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-1287006-B1 | ANTITUMORAL COMPOUNDS | PHARMA MAR SA (ES) | 2007-10-24 | — | — | EP | claimed |