Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 11/20 | 0.52 |
| ▸ | CES1 | P23141 | 10/20 | 0.52 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1012189 | 1.00 | CES2 (0.52) | CES2CES1EGFRRAB9AKMT2A | |
| SCHEMBL2998436 | 0.84 | HDAC1 (0.40) | CES2CES1EGFRKMT2AHPGD | |
| SCHEMBL2998438 | 0.84 | HDAC1 (0.40) | CES2CES1EGFRKMT2AHPGD | |
| SCHEMBL15956094 | 0.80 | CES2 (0.49) | CES2CES1RAB9AKMT2AALDH1A1 | |
| SCHEMBL1931609 | 0.78 | CES2 (0.47) | CES2CES1RAB9AALDH1A1 | |
| SCHEMBL2371667 | 0.74 | ESR1 (0.46) | CES2CES1EGFRRAB9AKMT2A | |
| SCHEMBL14698348 | 0.72 | NPC1 (0.35) | RAB9AALDH1A1MAPT | |
| SCHEMBL14845241 | 0.72 | CES2 (0.50) | CES2CES1 | |
| SCHEMBL4636349 | 0.71 | FFAR3 (0.33) | ALDH1A1 | |
| SCHEMBL5902611 | 0.71 | FFAR3 (0.33) | CES2CES1 |
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-2271629-A1 | SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 | AstraZeneca AB (SE) | 2011-01-12 | — | — | EP | disclosed |