Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.41 |
| ▸ | XPO1 | O14980 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8700700 | 1.00 | PTGS2 (0.45) | PTGS2ABCB1XPO1ALDH1A1CYP3A4 | |
| SCHEMBL8704515 | 0.96 | PTGS2 (0.45) | PTGS2ALDH1A1ACHEPTGS1 | |
| SCHEMBL8700233 | 0.89 | ABCB1 (0.48) | PTGS2ABCB1XPO1ALDH1A1CYP3A4 | |
| SCHEMBL8703332 | 0.84 | ABCB1 (0.44) | PTGS2ABCB1XPO1ALDH1A1CYP3A4 | |
| SCHEMBL8701060 | 0.80 | ALDH1A1 (0.42) | PTGS2ABCB1XPO1ALDH1A1CYP3A4 | |
| SCHEMBL8698359 | 0.79 | ABCB1 (0.53) | PTGS2ABCB1XPO1ALDH1A1CYP3A4 | |
| SCHEMBL8698613 | 0.76 | PTGS2 (0.42) | PTGS2ABCB1CYP3A4 | |
| SCHEMBL8698457 | 0.76 | PTGS2 (0.42) | PTGS2ABCB1CYP3A4 | |
| SCHEMBL8701953 | 0.74 | ABCB1 (0.46) | PTGS2ABCB1XPO1ALDH1A1CYP3A4 | |
| SCHEMBL8704284 | 0.72 | TRPA1 (0.47) | PTGS2ABCB1XPO1ALDH1A1CYP3A4 |
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 |