Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11345881 | 1.00 | CES2 (0.50) | CES2CES1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL7381899 | 0.84 | CES2 (0.52) | CES2CES1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL7381695 | 0.83 | MAPT (0.41) | CES2CES1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL9475635 | 0.83 | CYP11B1 (0.58) | CES2CES1CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL7383383 | 0.82 | ALDH1A1 (0.58) | CES2CES1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL5318227 | 0.82 | ALDH1A1 (0.58) | CES2CES1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL16847938 | 0.82 | CES2 (0.54) | CES2CES1CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL7377209 | 0.80 | CYP11B1 (0.57) | CES2CES1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL11267231 | 0.80 | HDAC1 (0.43) | CYP1A2HIF1AALDH1A1MAPTLMNA | |
| SCHEMBL11267238 | 0.80 | HDAC1 (0.43) | CYP1A2HIF1AALDH1A1MAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0016277-B1 | 2-CARBONYL-3-HYDROXY-ALKENONITRILES, THEIR USE AS ANTI-ARTHRITIC AGENTS AND PROCESSES FOR THEIR PREPARATION | AMERICAN CYANAMID COMPANY (US) | 1981-12-02 | — | — | EP | disclosed |
| EP-0016277-A1 | 2-Carbonyl-3-hydroxy-alkenonitriles, their use as anti-arthritic agents and processes for their preparation | AMERICAN CYANAMID COMPANY (US) | 1980-10-01 | — | — | EP | disclosed |
| US-4173650-A | ANTIARTHRITIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1979-11-06 | — | — | US | disclosed |