Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 5/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ESRRG | P62508 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966453 | 0.89 | NR1H4 (0.39) | KLKB1MAP4K1NR1H4SMN1; SMN2RAB9A | |
| SCHEMBL14966634 | 0.88 | TSHR (0.42) | KLKB1MAP4K1NR1H4SMN1; SMN2OPRM1 | |
| SCHEMBL14966830 | 0.87 | KLKB1 (0.44) | KLKB1MAP4K1NR1H4SMN1; SMN2OPRM1 | |
| SCHEMBL14966778 | 0.82 | NPC1 (0.49) | SMN1; SMN2ALDH1A1NPC1POLBMAPT | |
| SCHEMBL14966659 | 0.82 | LMNA (0.48) | KLKB1SMN1; SMN2RAB9ANPC1MEN1 | |
| SCHEMBL14966459 | 0.82 | KLKB1 (0.40) | KLKB1MAP4K1NR1H4SMN1; SMN2MEN1 | |
| SCHEMBL14966781 | 0.82 | RAB9A (0.47) | KLKB1NR1H4SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL14966619 | 0.81 | EZH2 (0.40) | KLKB1MAP4K1SMN1; SMN2OPRM1OPRK1 | |
| SCHEMBL14966647 | 0.81 | SCN9A (0.44) | SMN1; SMN2RAB9AALDH1A1MAPTHPGD | |
| SCHEMBL14966474 | 0.81 | MAPK14 (0.44) | SMN1; SMN2RAB9AALDH1A1NPC1MEN1 |
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-2780013-A1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | Constellation Pharmaceuticals, Inc. (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013075084-A1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS (US) | 2013-05-23 | — | — | WO | disclosed |