Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 9/20 | 0.38 |
| ▸ | PPARG | P37231 | 9/20 | 0.38 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.36 |
| ▸ | PRMT6 | Q96LA8 | 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 |
| ▸ | LIPE | Q05469 | 2/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7364062 | 0.81 | SMN1; SMN2 (0.37) | PPARAPPARGCARM1PRMT6CYP1A2 | |
| Bicarbonate SCHEMBL27771212 | 0.66 | SMN1; SMN2 (0.51) | CYP1A2CYP2C19NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6540867 | 0.66 | PPARA (0.39) | PPARAPPARGSMN1; SMN2 | |
| SCHEMBL6540875 | 0.66 | PPARA (0.39) | PPARAPPARGSMN1; SMN2 | |
| SCHEMBL964774 | 0.64 | RXRA (0.50) | PPARAPPARGKCNH2NPC1RAB9A | |
| SCHEMBL2714295 | 0.62 | MAOB (0.62) | MAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28901155 | 0.62 | LIPE (0.43) | PPARACARM1PRMT6LIPENPC1 | |
| SCHEMBL31258914 | 0.62 | PTPN1 (0.65) | PPARAPPARGCYP1A2HTR2AKCNH2 | |
| SCHEMBL13957613 | 0.62 | PTPN1 (0.65) | PPARAPPARGCYP1A2HTR2AKCNH2 | |
| SCHEMBL23052638 | 0.61 | PPARA (0.47) | PPARAPPARGCYP1A2KCNH2MAOB |
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 |