Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NNMT | P40261 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29442775 | 0.75 | MAPK1 (0.57) | MAPK1KDM4EL3MBTL1NNMTKMT2A | |
| SCHEMBL1456298 | 0.75 | MAPK1 (0.57) | MAPK1KDM4EL3MBTL1NNMTKMT2A | |
| SCHEMBL13833611 | 0.74 | MAPK1 (0.43) | MAPK1CYP1A2CYP2C19HSD17B10NPC1 | |
| SCHEMBL16465581 | 0.74 | NNMT (0.33) | KDM4ENNMTKMT2A | |
| SCHEMBL3993003 | 0.74 | APLNR (0.34) | KMT2A | |
| SCHEMBL1680388 | 0.73 | ALDH1A1 (0.37) | PTGER4HSD17B10NPC1RAB9AKDM4E | |
| SCHEMBL16398495 | 0.73 | NQO2 (0.35) | MAPK1CYP1A2CYP2C19HSD17B10P2RX3 | |
| SCHEMBL12500624 | 0.71 | APLNR (0.32) | KMT2A | |
| SCHEMBL12500625 | 0.71 | APLNR (0.32) | KMT2A | |
| SCHEMBL30597755 | 0.70 | HPGD (0.39) | MAPK1HSD17B10NPC1POLBRAB9A |
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-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 |