Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 7/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5398421 | 0.97 | ALDH1A1 (0.60) | ALDH1A1CYP3A4TDP1CYP2C9KDM4E | |
| SCHEMBL8581862 | 0.91 | ALDH1A1 (0.67) | ALDH1A1CYP3A4TDP1CYP2C9KDM4E | |
| SCHEMBL3108730 | 0.91 | HSD17B1 (0.54) | ALDH1A1CYP3A4TDP1CYP2C9CYP1A2 | |
| SCHEMBL913348 | 0.87 | HSD17B1 (0.50) | ALDH1A1CYP3A4TDP1CYP2C9KDM4E | |
| SCHEMBL223856 | 0.87 | HSD17B1 (0.50) | ALDH1A1CYP3A4TDP1CYP2C9KDM4E | |
| SCHEMBL504209 | 0.87 | HSD17B1 (0.50) | ALDH1A1CYP3A4TDP1CYP2C9KDM4E | |
| SCHEMBL9136317 | 0.85 | HSD17B1 (0.54) | ALDH1A1CYP3A4TDP1CYP2C9KDM4E | |
| SCHEMBL2623461 | 0.85 | HSD17B1 (0.54) | ALDH1A1CYP3A4TDP1CYP2C9KDM4E | |
| Water SCHEMBL913259 | 0.85 | CYP3A4 (0.48) | ALDH1A1CYP3A4TDP1CYP2C9KDM4E | |
| SCHEMBL13104514 | 0.84 | HSD17B1 (0.53) | ALDH1A1CYP3A4TDP1CYP2C9KDM4E |
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-2403657-A1 | PROCESS FOR PREPARING STRUCTURED ORGANIC FILMS (SOFS) VIA A PRE-SOF | Xerox Corporation (US) | 2012-01-11 | — | — | EP | disclosed |