Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA4 | P22748 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | PTGER1 | P34995 | 3/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.44 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.44 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 6/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 5/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL7509868 | 0.85 | CA12 (0.46) | CA12CA1CA2CA4CA7 | |
| SCHEMBL7346532 | 0.84 | EPHX2 (0.40) | CA12CA1CA2CA4CA7 | |
| SCHEMBL2162246 | 0.82 | KEAP1 (0.48) | KEAP1PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL10585673 | 0.82 | CA12 (0.50) | CA12CA1CA2CA4CA7 | |
| SCHEMBL5880381 | 0.80 | CYP4F2 (0.61) | CA12CA1CA2CA4CA7 | |
| SCHEMBL12419024 | 0.80 | CA12 (0.55) | CA12CA1CA2CA4CA7 | |
| SCHEMBL27744713 | 0.79 | KEAP1 (0.48) | KEAP1PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL59198 | 0.77 | KEAP1 (0.65) | KEAP1PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL6894550 | 0.76 | KEAP1 (0.46) | KEAP1PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL8428840 | 0.76 | NPSR1 (0.47) | PTGER1PTGER4PTGER3PTGER2FFAR1 |
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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040069208-A1 | Process for crystallizing enantiomerically enriched 2-acetylthio-3-phenylpropionic acid | DSM IP ASSETS B.V. (NL) | 2004-04-15 | — | — | US | claimed |
| EP-1313702-A1 | PROCESS FOR CRYSTALLIZING ENANTIOMERICALLY ENRICHED 2-ACETYLTHIO-3-PHENYLPROPIONIC ACID | DSM N.V. (NL) | 2003-05-28 | — | — | EP | claimed |
| WO-2002006217-A1 | PROCESS FOR CRYSTALLIZING ENANTIOMERICALLY ENRICHED 2-ACETYLTHIO-3-PHENYLPROPIONIC ACID | DSM N.V. (NL) | 2002-01-24 | — | — | WO | claimed |
| US-5856476-A | Processes for preparing azepiones useful as intermediates in the preparation of inhibitors of angiotensin converting enzyme and neutral endopeptidase | E. R. SQUIBBS & SONS, INC. (US) | 1999-01-05 | — | — | US | claimed |
| US-7803586-B2 | Chemical Process | ASTRAZENECA AB (SE) | 2010-09-28 | — | — | US | disclosed |
| US-20080115247-A1 | Chemical Process | ASTRAZENECA AB (SE) | 2008-05-15 | — | — | US | disclosed |
| EP-1828394-A2 | CHEMICAL PROCESS | AstraZeneca AB (SE) | 2007-09-05 | — | — | EP | disclosed |
| US-7141694-B2 | Enzymatic resolution of aryl and thio-substituted acids | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-28 | — | — | US | disclosed |
| WO-2006064213-A2 | CHEMICAL PROCESS | ASTRAZENECA AB (SE) | 2006-06-22 | — | — | WO | disclosed |
| US-7026143-B2 | Enzymatic resolution of aryl and thio-substituted acids | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-04-11 | — | — | US | disclosed |
| EP-0629627-B1 | Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2004-05-06 | — | — | EP | disclosed |
| US-20040077061-A1 | Enzymatic resolution of aryl and thio-substituted acids | ZHU JINGYANG (US) | 2004-04-22 | — | — | US | disclosed |
| US-5508272-A | SELECTIVE ACE INHIBITORS, HYPOTENSIVE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-04-16 | — | — | US | disclosed |
| US-5504080-A | Benzo-fused lactams | BRISTOL-MYERS SQUIBB CO. (US) | 1996-04-02 | — | — | US | disclosed |
| EP-0657453-A1 | Angiotensin converting enzyme (ace) inhibitors containing a fused multiple ring lactam | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-06-14 | — | — | EP | disclosed |
| EP-0640617-A1 | Substituted azepino (2,1-a)isoquinoline compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-03-01 | — | — | EP | disclosed |
| EP-0629627-A2 | Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-12-21 | — | — | EP | disclosed |
| US-5362727-A | Treatment of cardiovascular disorders | BRISTOL-MYERS SQUIBB (US) | 1994-11-08 | — | — | US | disclosed |
| EP-0599444-A1 | Dual action inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1994-06-01 | — | — | EP | disclosed |
| EP-0595610-A1 | Benzo-fused lactams | E.R. SQUIBB & SONS, INC. (US) | 1994-05-04 | — | — | EP | disclosed |