Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.43 |
| ▸ | MMP13 | P45452 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966659 | 0.91 | LMNA (0.48) | LMNASMN1; SMN2MAPK14NPC1RAB9A | |
| SCHEMBL14966778 | 0.91 | NPC1 (0.49) | LMNASMN1; SMN2CYP3A4MAPK14MMP13 | |
| SCHEMBL14966647 | 0.90 | SCN9A (0.44) | LMNASMN1; SMN2CYP3A4MAPK14MMP13 | |
| SCHEMBL14967111 | 0.87 | LMNA (0.39) | LMNASMN1; SMN2CYP3A4ROCK2CYP2D6 | |
| SCHEMBL14966269 | 0.87 | EPHX2 (0.44) | LMNASMN1; SMN2ROCK2ROCK1RAB9A | |
| SCHEMBL14966459 | 0.87 | KLKB1 (0.40) | LMNASMN1; SMN2MMP13RECQL | |
| SCHEMBL14966398 | 0.86 | POLB (0.52) | LMNASMN1; SMN2CYP3A4ROCK2CYP2D6 | |
| SCHEMBL14966830 | 0.86 | KLKB1 (0.44) | SMN1; SMN2RECQL | |
| SCHEMBL14966965 | 0.86 | NPC1 (0.47) | LMNASMN1; SMN2MAPK14NPC1RAB9A | |
| SCHEMBL14966541 | 0.85 | LMNA (0.41) | LMNASMN1; SMN2CYP3A4ROCK2CYP2D6 |
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 |