Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 7/20 | 0.60 |
| ▸ | CES1 | P23141 | 7/20 | 0.60 |
| ▸ | GAPDH | P04406 | 4/20 | 0.54 |
| ▸ | S100A4 | P26447 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | P4HB | P07237 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CDC25A | P30304 | 1/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | PPOX | P50336 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9713769 | 0.91 | GAPDH (0.69) | CES2CES1GAPDHS100A4HSP90AA1 | |
| SCHEMBL9628376 | 0.85 | CES1 (0.77) | CES2CES1GAPDHS100A4MAOA | |
| SCHEMBL9628282 | 0.80 | IDO1 (0.61) | CES2CES1GAPDHS100A4HSP90AA1 | |
| SCHEMBL30003034 | 0.80 | IDO1 (0.61) | CES2CES1GAPDHS100A4HSP90AA1 | |
| SCHEMBL9713857 | 0.77 | CES2 (0.60) | CES2CES1GAPDHS100A4MAOA | |
| SCHEMBL9713379 | 0.77 | S100A4 (0.44) | CES2CES1GAPDHS100A4HSP90AA1 | |
| SCHEMBL9629343 | 0.76 | CDC25B (0.51) | CES2CES1S100A4HSP90AA1PTPN1 | |
| SCHEMBL9642962 | 0.76 | S100A4 (0.58) | CES2CES1S100A4MAOAMAOB | |
| SCHEMBL9643210 | 0.76 | ALDH1A1 (0.40) | CES2CES1GAPDHS100A4HSP90AA1 | |
| SCHEMBL17594909 | 0.75 | GAPDH (0.89) | CES2CES1GAPDHS100A4MAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5091558-A | Topical administeration | SYNTEX (U.S.A.) INC. (US) | 1992-02-25 | — | — | US | disclosed |
| EP-0150831-B1 | NAPHTHALENE ANTI-PSORIATIC AGENTS | SYNTEX (U.S.A.) INC. (US) | 1988-08-10 | — | — | EP | disclosed |
| EP-0150831-A2 | Naphthalene anti-psoriatic agents | SYNTEX (U.S.A.) INC. (US) | 1985-08-07 | — | — | EP | disclosed |