Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.43 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.42 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.39 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.39 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.39 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL10613622 | 0.83 | ESR1 (0.52) | CYP1A2TAAR1TDP1L3MBTL1ALDH1A1 | |
| SCHEMBL2551920 | 0.81 | ALDH1A1 (0.57) | FFAR1TDP1ALDH1A1KDM4ERECQL | |
| SCHEMBL2551922 | 0.81 | ALDH1A1 (0.57) | FFAR1TDP1ALDH1A1KDM4ERECQL | |
| SCHEMBL5593707 | 0.81 | ALDH1A1 (0.57) | FFAR1TDP1ALDH1A1KDM4ERECQL | |
| SCHEMBL20901738 | 0.80 | FFAR1 (0.42) | CYP1A2CYP2A6TAAR1FFAR1TDP1 | |
| Water SCHEMBL27851978 | 0.79 | ALDH1A1 (0.55) | FFAR1TDP1ALDH1A1KDM4ERECQL | |
| SCHEMBL11479198 | 0.79 | FFAR1 (0.56) | TAAR1FFAR1ALDH1A1KDM4ERECQL | |
| SCHEMBL7955321 | 0.79 | SLC6A4 (0.40) | FFAR1ALDH1A1 | |
| SCHEMBL7955323 | 0.79 | SLC6A4 (0.40) | FFAR1ALDH1A1 | |
| SCHEMBL362289 | 0.78 | CTBP2 (0.55) | CYP1A2CYP2A6TAAR1TDP1L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2593426-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |