Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | NCF1 | P14598 | 5/20 | 0.56 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15237514 | 0.83 | CYP1A2 (0.58) | CYP1A2NCF1AURKAAURKBKDM4E | |
| SCHEMBL4853176 | 0.79 | CYP1A2 (0.53) | CYP1A2NCF1AURKAAURKBKDM4E | |
| SCHEMBL15958501 | 0.79 | CYP1A2 (0.53) | CYP1A2NCF1AURKAAURKBKDM4E | |
| SCHEMBL89010 | 0.75 | CYP1A2 (1.00) | CYP1A2NCF1KDM4EALDH1A1MAPT | |
| SCHEMBL29502790 | 0.75 | CYP1A2 (1.00) | CYP1A2NCF1KDM4EALDH1A1MAPT | |
| SCHEMBL6788480 | 0.74 | CYP1A2 (0.56) | CYP1A2NCF1KDM4EUSP2ALDH1A1 | |
| SCHEMBL11373402 | 0.74 | CYP1A2 (0.47) | CYP1A2NCF1AURKAAURKBKDM4E | |
| SCHEMBL11370371 | 0.74 | NCF1 (0.49) | CYP1A2NCF1AURKAAURKBKDM4E | |
| Hydrochloric Acid SCHEMBL11674460 | 0.74 | CYP1A2 (0.96) | CYP1A2NCF1KDM4EALDH1A1MAPT | |
| SCHEMBL18391405 | 0.73 | CYP1A2 (0.55) | CYP1A2NCF1AURKAAURKBKDM4E |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6984648-B2 | Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2006-01-10 | — | — | US | disclosed |
| US-6962938-B2 | Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-11-08 | — | — | US | disclosed |
| US-6825215-B2 | N-HYDROXY-2-(2-(((4-((2-METHYL-4-QUINOLINYL)METHOXY)PHENYL) -SULFONYL)METHYL)-2-PYRROLIDINYL)ACETAMIDE, FOR EXAMPLE AND OTHER QUINOLINE CONTAINING N-HYDROXYACETAMIDE DERIVATIVES | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-11-30 | — | — | US | disclosed |
| US-6743807-B2 | TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-06-01 | — | — | US | disclosed |
| US-6720329-B2 | ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS SQUIBB PHARMA | 2004-04-13 | — | — | US | disclosed |
| EP-1373199-A4 | SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2004-04-07 | — | — | EP | disclosed |
| EP-1373199-A2 | SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) | Bristol-Myers Squibb Pharma Company (US) | 2004-01-02 | — | — | EP | disclosed |
| EP-1355901-A2 | 1,1-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLOPROTEASE AND TNF-$g(a) | Bristol-Myers Squibb Pharma Company (US) | 2003-10-29 | — | — | EP | disclosed |
| EP-1263755-A2 | CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA | Bristol-Myers Squibb Pharma Company (US) | 2002-12-11 | — | — | EP | disclosed |
| WO-2002074738-A2 | SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-09-26 | — | — | WO | disclosed |
| WO-2002055516-A2 | 1,1-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLOPROTEASE AND TNF-$g(a) | BRISTOL MYERS SQUIBB CO (US) | 2002-07-18 | — | — | WO | disclosed |
| WO-2001070673-A2 | CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-09-27 | — | — | WO | disclosed |