Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 4/20 | 0.36 |
| ▸ | PPARA | Q07869 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | HNF4A | P41235 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.35 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.35 |
| ▸ | LIPE | Q05469 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL6540867 | 0.84 | PPARA (0.39) | SMN1; SMN2PPARGPPARAALDH1A1CYP3A4 | |
| SCHEMBL6540875 | 0.84 | PPARA (0.39) | SMN1; SMN2PPARGPPARAALDH1A1CYP3A4 | |
| SCHEMBL7364066 | 0.81 | PPARA (0.38) | SMN1; SMN2NPC1RAB9APPARGPPARA | |
| SCHEMBL6541438 | 0.80 | CAPN1 (0.38) | SMN1; SMN2PPARGALDH1A1CYP3A4HPGD | |
| SCHEMBL6541442 | 0.80 | CAPN1 (0.38) | SMN1; SMN2PPARGALDH1A1CYP3A4HPGD | |
| SCHEMBL6539634 | 0.78 | MAPT (0.38) | SMN1; SMN2PPARGALDH1A1CYP3A4HPGD | |
| SCHEMBL6539645 | 0.78 | MAPT (0.38) | SMN1; SMN2PPARGALDH1A1CYP3A4HPGD | |
| SCHEMBL6539667 | 0.78 | PTGIR (0.41) | SMN1; SMN2NPC1RAB9ALMNANPSR1 | |
| SCHEMBL6540931 | 0.78 | PKM (0.44) | SMN1; SMN2LMNANPSR1CYP2C19MMP13 | |
| SCHEMBL6539664 | 0.78 | PTGIR (0.41) | SMN1; SMN2NPC1RAB9ALMNANPSR1 |
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-1194404-A1 | INHIBITORS OF ASPARTYL PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 2002-04-10 | — | — | EP | disclosed |
| WO-2000076961-A1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2000-12-21 | — | — | WO | disclosed |