Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6489952 | 0.83 | GPR3 (0.53) | GPR3MAPK1ALDH1A1CYP1A2HPGD | |
| Ammonia Solution, Strong SCHEMBL29175740 | 0.83 | GPR3 (0.53) | GPR3MAPK1ALDH1A1CYP1A2HPGD | |
| SCHEMBL7128183 | 0.80 | CYP1A2 (0.62) | GPR3MAPK1ALDH1A1CYP1A2HPGD | |
| SCHEMBL6818967 | 0.80 | GPR3 (0.50) | GPR3MAPK1ALDH1A1CYP1A2HPGD | |
| SCHEMBL10496106 | 0.79 | GPR3 (0.53) | GPR3MAPK1ALDH1A1CYP1A2HPGD | |
| SCHEMBL3966414 | 0.79 | GPR3 (0.57) | GPR3MAPK1ALDH1A1CYP1A2HPGD | |
| SCHEMBL16132377 | 0.77 | GPR3 (0.47) | GPR3MAPK1ALDH1A1CYP1A2HPGD | |
| SCHEMBL14595374 | 0.76 | PDE10A (0.66) | KDM4EGAAHSD17B10SMN1; SMN2RXFP1 | |
| SCHEMBL3343183 | 0.76 | KDM4E (0.69) | GPR3ALDH1A1CYP1A2HPGDKDM4E | |
| SCHEMBL6784629 | 0.76 | ERN1 (0.57) | GPR3MAPK1ALDH1A1CYP1A2HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |
| 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 |