Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK10 | P53779 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11161062 | 1.00 | MAPK10 (0.53) | MAPK10TP53CES2CES1ALDH1A1 | |
| SCHEMBL11330511 | 0.84 | CES2 (0.52) | MAPK10TP53CES2CES1ALDH1A1 | |
| SCHEMBL11330505 | 0.84 | CES2 (0.52) | MAPK10TP53CES2CES1ALDH1A1 | |
| SCHEMBL11341677 | 0.84 | CES2 (0.52) | MAPK10TP53CES2CES1ALDH1A1 | |
| SCHEMBL11164430 | 0.80 | CES2 (0.47) | MAPK10TP53CES2CES1ALDH1A1 | |
| SCHEMBL11164427 | 0.80 | CES2 (0.47) | MAPK10TP53CES2CES1ALDH1A1 | |
| SCHEMBL11168628 | 0.80 | MAPK10 (0.50) | MAPK10TP53CES2CES1ALDH1A1 | |
| SCHEMBL11168632 | 0.80 | MAPK10 (0.50) | MAPK10TP53CES2CES1ALDH1A1 | |
| SCHEMBL11168327 | 0.80 | CES2 (0.47) | MAPK10TP53CES2CES1ALDH1A1 | |
| SCHEMBL11367065 | 0.80 | CES2 (0.47) | MAPK10TP53CES2CES1ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0035284-B1 | NOVEL 2-BENZOYL-3-SUBSTITUTED-2-ALKENONITRILES AND PROCESS FOR THEIR PREPARATION | AMERICAN CYANAMID COMPANY (US) | 1983-07-13 | — | — | EP | disclosed |
| 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-0035284-A2 | Novel 2-benzoyl-3-substituted-2-alkenonitriles and process for their preparation | AMERICAN CYANAMID COMPANY (US) | 1981-09-09 | — | — | 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 |
| WO-1980000964-A1 | ANTI-INFLAMMATORY AGENTS INCLUDING 2-CARBONYL-3-HYDROXY-2-ALKENONITRILES | AMERICAN CYANAMID CO (US) | 1980-05-15 | — | — | WO | disclosed |
| US-4173650-A | ANTIARTHRITIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1979-11-06 | — | — | US | disclosed |