Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.41 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7707990 | 0.94 | CYP2D6 (0.48) | CYP2D6PPARAPPARGPOLBCYP4F2 | |
| SCHEMBL7716333 | 0.89 | CYP4F2 (0.51) | CYP2D6PPARAPPARGPOLBCYP4F2 | |
| SCHEMBL7614469 | 0.88 | CYP4F2 (0.50) | CYP2D6PPARAPPARGPOLBCYP4F2 | |
| SCHEMBL7614376 | 0.87 | MMP8 (0.49) | PPARAPPARGMMP8NPC1RAB9A | |
| SCHEMBL7708009 | 0.85 | CYP4F2 (0.53) | CYP2D6PPARAPPARGPOLBCYP4F2 | |
| SCHEMBL7619561 | 0.84 | CYP2D6 (0.40) | CYP2D6PPARAPPARGPOLBCYP4F2 | |
| SCHEMBL7617244 | 0.84 | NPC1 (0.50) | PPARGLTB4RLTB4R2FFAR1NPC1 | |
| SCHEMBL7621825 | 0.84 | MMP8 (0.41) | MMP8SMN1; SMN2 | |
| SCHEMBL7708057 | 0.81 | CYP2D6 (0.47) | CYP2D6PPARAPPARGPOLBCYP4F2 | |
| SCHEMBL7712092 | 0.81 | ALDH1A1 (0.49) | PPARAPPARGMMP8NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0778263-B1 | BENZENE COMPOUND AND MEDICINAL USE THEREOF | WELFIDE CORP (JP) | 2002-01-09 | — | — | EP | disclosed |