Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 5/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | XPO1 | O14980 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL8698359 | 0.90 | ABCB1 (0.53) | ABCB1ALOX5PTGS2ALDH1A1XPO1 | |
| SCHEMBL8698464 | 0.88 | TRPA1 (0.41) | ABCB1ALOX5PTGS2ALDH1A1XPO1 | |
| SCHEMBL8698455 | 0.88 | TRPA1 (0.41) | ABCB1ALOX5PTGS2ALDH1A1XPO1 | |
| SCHEMBL8699145 | 0.84 | GLA (0.42) | ALDH1A1MAPTKDM4EKCNK3KCNK9 | |
| SCHEMBL8699152 | 0.84 | GLA (0.42) | ALDH1A1MAPTKDM4EKCNK3KCNK9 | |
| SCHEMBL2841391 | 0.80 | ALDH1A1 (0.46) | ALOX5ALDH1A1CYP3A4LMNAMAPT | |
| SCHEMBL8698569 | 0.80 | TRPA1 (0.46) | ALDH1A1MAPT | |
| SCHEMBL8703117 | 0.80 | TRPA1 (0.46) | ALDH1A1MAPT | |
| SCHEMBL8702045 | 0.80 | CYP3A4 (0.50) | ABCB1ALOX5PTGS2ALDH1A1XPO1 | |
| SCHEMBL8699251 | 0.80 | HCRTR1 (0.41) | ALDH1A1MEN1MAPTKMT2AKDM4E |
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-1998008837-A1 | PHENYLBUTANOL DERIVATIVES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FARMACON, INC. (US) | 1998-03-05 | — | — | WO | disclosed |