Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2478022 | 0.89 | EGFR (0.42) | ALDH1A1ATMTSHRHPGDNAAA | |
| SCHEMBL65775 | 0.86 | ALDH1A1 (0.52) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL8909554 | 0.86 | ALDH1A1 (0.52) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL14228912 | 0.85 | CA12 (0.44) | ALDH1A1ATMTSHRHPGDNAAA | |
| SCHEMBL25226108 | 0.84 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Ammonia Solution, Strong SCHEMBL28649190 | 0.84 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL10828190 | 0.83 | EGFR (0.43) | ALDH1A1TSHRHPGDEGFRERBB2 | |
| SCHEMBL25227061 | 0.82 | NAAA (0.48) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL25229268 | 0.82 | NAAA (0.48) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL721996 | 0.82 | NAAA (0.48) | ALDH1A1ATMTSHRHPGDHCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015028960-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AS GPR AGONISTS AND USES THEREOF | Piramal Enterprises Limited (IN) | 2015-03-05 | — | — | WO | disclosed |
| EP-1747210-A1 | 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS | Warner-Lambert Company LLC (US) | 2007-01-31 | — | — | EP | disclosed |
| WO-2005108384-A1 | 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS | WARNER-LAMBERT COMPANY LLC (US) | 2005-11-17 | — | — | WO | disclosed |