Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | PYGL | P06737 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | FPR2 | P25090 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7021905 | 0.89 | CYP2C9 (0.42) | CYP2C9PYGLCA2CA1CYP2C19 | |
| SCHEMBL8674160 | 0.87 | CYP2C9 (0.41) | CYP2C9PYGLCA2CA1CYP2C19 | |
| SCHEMBL8803228 | 0.86 | CYP2C9 (0.40) | CYP2C9PYGLCA2CA1CYP2C19 | |
| SCHEMBL8376266 | 0.86 | CA2 (0.41) | CYP2C9PYGLCA2CA1CYP2C19 | |
| SCHEMBL7016329 | 0.85 | POLB (0.49) | CYP2C9PYGLCA2CA1ALDH1A1 | |
| SCHEMBL8375890 | 0.85 | CYP2C9 (0.41) | CYP2C9PYGLCA2CA1CYP2C19 | |
| SCHEMBL4915078 | 0.82 | CA2 (0.50) | CYP2C9PYGLCA2CA1CYP2C19 | |
| SCHEMBL4915065 | 0.82 | CA2 (0.50) | CYP2C9PYGLCA2CA1CYP2C19 | |
| SCHEMBL7870042 | 0.81 | MEN1 (0.56) | CYP2C9PYGLCA2CA1CYP2C19 | |
| SCHEMBL21274442 | 0.80 | HPGD (0.60) | CYP2C9PYGLCA2CA1CYP2C19 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0775110-B1 | ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS | WARNER LAMBERT CO (US) | 2005-10-05 | — | — | EP | claimed |
| US-5668178-A | VIRICIDE, BACTERICIDE, HIV | WARNER-LAMBERT COMPANY (US) | 1997-09-16 | — | — | US | claimed |
| EP-0775110-B1 | ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS | WARNER LAMBERT CO (US) | 2005-10-05 | — | — | EP | disclosed |
| US-5889034-A | ANTIINFLAMMATORY AGENT; ANTIATHEROSCLEROSIS AGENT; VIRICIDES | WARNER-LAMBERT COMPANY (US) | 1999-03-30 | — | — | US | disclosed |
| CN-1208407-A | Process for the preparation of [ S- (R, R) ] -3-methyl-2- (3-oxo-3H-benzo [ d ] isothiazol-2-yl) pentanoic acid and [ S- (R, R) ], L-2- { 2- [ 2- (1-carboxy-2-methylbutylcarbamoyl) phenyldisulfonyl ] -benzoylamino } -3-methyl-pentanoic acid | WARNER LAMBERT CO (US) | 1999-02-17 | — | — | CN | disclosed |
| EP-0874835-A1 | METHOD OF MAKING (S-(R*,R*))-3-METHYL-2-(3-OXO-3H-BENZO(D)ISOTHIAZOL-2-YL)PENTANOIC ACID AND (S-(R*,R*)), L-2-(2-(2-(1-CARBOXY-2-METHYLBUTYLCARBAMOYL)PHENYLDISULFONYL)BENZOYL-AMINO)-3-METHYLPENTANOIC ACID | WARNER-LAMBERT COMPANY (US) | 1998-11-04 | — | — | EP | disclosed |
| US-5733921-A | ANTIRETROVIRAL AGENTS; ANTIINFLAMMATORY AGENTS; ANTIATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 1998-03-31 | — | — | US | disclosed |
| US-5668291-A | THIOSUBSTITUTED PYRIDINES, TREATMENT OF AIDS AND HIV | WARNER-LAMBERT COMPANY (US) | 1997-09-16 | — | — | US | disclosed |
| US-5668178-A | VIRICIDE, BACTERICIDE, HIV | WARNER-LAMBERT COMPANY (US) | 1997-09-16 | — | — | US | disclosed |
| WO-1997022598-A1 | METHOD OF MAKING (S-(R*,R*))-3-METHYL-2-(3-OXO-3H-BENZO(D)ISOTHIAZOL-2-YL)PENTANOIC ACID AND (S-(R*,R*)), L-2-(2-(2-(1-CARBOXY-2-METHYLBUTYLCARBAMOYL)PHENYLDISULFONYL)BENZOYL-AMINO)-3-METHYLPENTANOIC ACID | WARNER-LAMBERT COMPANY (US) | 1997-06-26 | — | — | WO | disclosed |
| US-5463122-A | Amido-phenylthiols or dithiobisbenzamides as bactericides, viricides, retrovirus antigrowth agents; AIDS | WARNER-LAMBERT COMPANY (US) | 1995-10-31 | — | — | US | disclosed |