Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.48 |
| ▸ | EDNRA | P25101 | 5/20 | 0.46 |
| ▸ | EDNRB | P24530 | 4/20 | 0.46 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 4/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.41 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.40 |
| ▸ | BCL2L2 | Q92843 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 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 | |
|---|---|---|---|---|
| SCHEMBL30517195 | 0.78 | EDNRA (0.45) | CASP1EDNRAEDNRBCCR1FEN1 | |
| SCHEMBL29537027 | 0.77 | CA2 (0.58) | CASP1EDNRAEDNRBUCHL1USP30 | |
| SCHEMBL1767981 | 0.77 | CA2 (0.58) | CASP1EDNRAEDNRBUCHL1USP30 | |
| SCHEMBL3632239 | 0.77 | CA12 (0.62) | EDNRAEDNRBCCR1 | |
| SCHEMBL2006242 | 0.77 | PKLR (0.56) | CASP1CCR1 | |
| SCHEMBL15924985 | 0.76 | FEN1 (0.55) | CASP1CCR1FEN1ALOX5AP | |
| SCHEMBL1846856 | 0.76 | CASP1 (0.51) | CASP1EDNRAEDNRBFEN1ALOX5AP | |
| SCHEMBL10780146 | 0.76 | CASP1 (0.51) | CASP1EDNRAEDNRBFEN1ALOX5AP | |
| SCHEMBL15668311 | 0.76 | CASP1 (0.51) | CASP1EDNRAEDNRBFEN1ALOX5AP | |
| SCHEMBL418847 | 0.76 | CASP1 (0.51) | CASP1EDNRAEDNRBFEN1ALOX5AP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5292741-A | Macrocycles incorporating quinazolinones | MERCK & CO., INC. (US) | 1994-03-08 | — | — | US | disclosed |
| US-5262412-A | Angiotensin II antagonists, hypotensive agents, treatment of congestive heart failure and glaucoma | MERCK & CO., INC. (US) | 1993-11-16 | — | — | US | disclosed |