Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
| ▸ | MMP8 | P22894 | 2/20 | 0.42 |
| ▸ | MMP12 | P39900 | 2/20 | 0.42 |
| ▸ | MMP13 | P45452 | 2/20 | 0.42 |
| ▸ | MMP14 | P50281 | 2/20 | 0.42 |
| ▸ | MMP16 | P51512 | 2/20 | 0.42 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CXCR1 | P25024 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6713912 | 1.00 | CA12 (0.53) | CA12CA1CA2CA4CA7 | |
| SCHEMBL27288084 | 0.84 | PTGS1 (0.43) | CA12CA1CA2CA4CA7 | |
| SCHEMBL10585500 | 0.83 | CA1 (0.53) | CA12CA1CA2CA4CA7 | |
| SCHEMBL2209026 | 0.81 | PTGS2 (0.44) | MMP2MMP9MMP8MMP12MMP13 | |
| SCHEMBL18797642 | 0.81 | PTGS2 (0.50) | MMP2MMP9MMP8MMP12MMP13 | |
| SCHEMBL18113105 | 0.79 | PTGS1 (0.41) | MMP2MMP9MMP8MMP12MMP13 | |
| SCHEMBL9235115 | 0.79 | SIRT1 (0.47) | MMP2MMP9MMP8MMP12MMP13 | |
| SCHEMBL2204495 | 0.78 | PTGS2 (0.56) | MMP2MMP9MMP8MMP12MMP13 | |
| SCHEMBL16556233 | 0.77 | MMP2 (0.41) | MMP2MMP9MMP8MMP12MMP13 | |
| SCHEMBL14097981 | 0.75 | MMP2 (0.39) | MMP2MMP9MMP8MMP12MMP13 |
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 7 patents. 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 | disclosed |
| US-20030125575-A1 | Process for the preparation of(R)-2-bromo-3-phenyl -propionic acid | DSM N.V. (NL) | 2003-07-03 | — | — | US | disclosed |
| EP-1313702-A1 | PROCESS FOR CRYSTALLIZING ENANTIOMERICALLY ENRICHED 2-ACETYLTHIO-3-PHENYLPROPIONIC ACID | DSM N.V. (NL) | 2003-05-28 | — | — | EP | disclosed |
| EP-1272452-A2 | PROCESS FOR THE PREPARATION OF (R)-2-BROMO-3-PHENYL-PROPIONIC ACID | DSM N.V. (NL) | 2003-01-08 | — | — | EP | disclosed |
| WO-2002006217-A1 | PROCESS FOR CRYSTALLIZING ENANTIOMERICALLY ENRICHED 2-ACETYLTHIO-3-PHENYLPROPIONIC ACID | DSM N.V. (NL) | 2002-01-24 | — | — | WO | disclosed |
| WO-2001058837-A2 | PROCESS FOR THE PREPARATION OF (R)-2-BROMO-3-PHENYL-PROPIONIC ACID | DSM N.V. (NL) | 2001-08-16 | — | — | WO | disclosed |
| EP-0599444-B1 | Dual action inhibitors | SQUIBB & SONS INC (US) | 1998-01-28 | — | — | EP | disclosed |