Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6672417 | 0.86 | ESR1 (0.41) | ALDH1A1GAACYP2D6CYP1A2SRC | |
| SCHEMBL28569677 | 0.83 | KCNN4 (0.43) | KDM4EATMMTORL3MBTL1SRC | |
| SCHEMBL7277613 | 0.78 | MEN1 (0.40) | KDM4EALDH1A1 | |
| SCHEMBL8053595 | 0.76 | CYP2D6 (0.43) | ATMALOX5CYP2D6CYP1A2L3MBTL1 | |
| SCHEMBL173884 | 0.76 | L3MBTL1 (0.43) | AOC3ATMALOX5CYP2D6CYP1A2 | |
| SCHEMBL60355 | 0.75 | KMT2A (0.42) | ATMALOX5CYP2D6CYP1A2L3MBTL1 | |
| SCHEMBL11159095 | 0.74 | AOC3 (0.44) | KDM4EAOC3ATMALOX5ALDH1A1 | |
| SCHEMBL23357274 | 0.74 | CYP2D6 (0.44) | ALOX5ALDH1A1CYP2D6CYP1A2SRC | |
| SCHEMBL17242271 | 0.74 | CYP2D6 (0.44) | ALOX5ALDH1A1CYP2D6CYP1A2SRC | |
| SCHEMBL17242270 | 0.74 | CYP2D6 (0.44) | ALOX5ALDH1A1CYP2D6CYP1A2SRC |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004026293-A2 | HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS | WYETH HOLDINGS CORPORATION (US) | 2004-04-01 | — | — | WO | disclosed |