Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.52 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KIT | P10721 | 4/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 2/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL20116847 | 0.91 | NPC1 (0.42) | NPC1RAB9ACASP3SENP7SENP6 | |
| SCHEMBL20116766 | 0.91 | NPC1 (0.42) | NPC1RAB9ACASP3SENP7SENP6 | |
| SCHEMBL20116798 | 0.87 | KIT (0.42) | NPC1RAB9ACASP3SENP7SENP6 | |
| SCHEMBL20116883 | 0.86 | NPC1 (0.40) | NPC1RAB9ACASP3SENP7SENP6 | |
| SCHEMBL20676636 | 0.85 | LMNA (0.46) | L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL20676506 | 0.83 | KIT (0.44) | KITMMP12 | |
| SCHEMBL20676516 | 0.82 | SMN1; SMN2 (0.38) | NPC1RAB9ACASP3SENP7SENP6 | |
| SCHEMBL20117192 | 0.82 | TLR9 (0.51) | CYP3A4CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL20116690 | 0.81 | GRM5 (0.54) | L3MBTL1SMN1; SMN2ALDH1A1MAPK1GAA | |
| SCHEMBL20676451 | 0.81 | CNR1 (0.39) | CASP3SENP7SENP6KITNR1H4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018081167-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS (US) | 2018-05-03 | — | — | WO | disclosed |