Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31753689 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAMAPTALOX5 | |
| SCHEMBL3192065 | 0.90 | SKP2 (0.47) | ALDH1A1KDM4EGAAMAPTALOX5 | |
| SCHEMBL1099654 | 0.83 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAMAPTALOX5 | |
| SCHEMBL30169454 | 0.83 | ESR1 (0.40) | ALDH1A1KDM4EGAAMAPTCA2 | |
| SCHEMBL307493 | 0.83 | ESR1 (0.40) | ALDH1A1KDM4EGAAMAPTCA2 | |
| SCHEMBL27619133 | 0.81 | SKP2 (0.41) | ALDH1A1KDM4EGAAMAPTSKP2 | |
| SCHEMBL18353303 | 0.81 | SKP2 (0.50) | ALDH1A1KDM4ESKP2FFAR4ESR1 | |
| SCHEMBL20048186 | 0.81 | SKP2 (0.50) | ALDH1A1ALOX5CA2SKP2FFAR4 | |
| SCHEMBL6301819 | 0.80 | ALDH1A1 (0.52) | ALDH1A1KDM4EGAAMAPTALOX5 | |
| SCHEMBL10756643 | 0.80 | KDM4E (0.52) | ALDH1A1KDM4EGAAMAPTALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2780014-A1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | Constellation Pharmaceuticals, Inc. (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013075083-A1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS (US) | 2013-05-23 | — | — | WO | disclosed |
| EP-0050957-A1 | Heterocyclic thromboxane synthetase inhibitors, processes for their preparation, and pharmaceutical compositions containing them | Pfizer Limited (GB) | 1982-05-05 | — | — | EP | disclosed |