Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.40 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14966453 | 0.90 | NR1H4 (0.39) | KLKB1SMN1; SMN2NR1H4ESRRGMAP4K1 | |
| SCHEMBL14966634 | 0.89 | TSHR (0.42) | KLKB1SMN1; SMN2NR1H4ESRRGMAP4K1 | |
| SCHEMBL14966659 | 0.87 | LMNA (0.48) | KLKB1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL14966778 | 0.87 | NPC1 (0.49) | SMN1; SMN2ALDH1A1CHRNA7 | |
| SCHEMBL14966620 | 0.87 | KLKB1 (0.41) | KLKB1SMN1; SMN2NR1H4ESRRGMAP4K1 | |
| SCHEMBL14966459 | 0.87 | KLKB1 (0.40) | KLKB1SMN1; SMN2NR1H4MAP4K1KDM4E | |
| SCHEMBL14966781 | 0.87 | RAB9A (0.47) | KLKB1SMN1; SMN2NR1H4CHRM4ALDH1A1 | |
| SCHEMBL14967113 | 0.86 | LMNA (0.50) | SMN1; SMN2RECQL | |
| SCHEMBL14966647 | 0.86 | SCN9A (0.44) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL14966474 | 0.86 | MAPK14 (0.44) | SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A |
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 |