Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.37 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.37 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL660245 | 0.78 | TSHR (0.44) | TSHRGPR35CYP3A4MAPK1TDP1 | |
| SCHEMBL5196770 | 0.78 | PSMB8 (0.46) | TSHRGPR35CYP3A4TDP1HSD17B10 | |
| SCHEMBL4665919 | 0.77 | MEN1 (0.44) | TSHRGPR35CYP3A4MAPK1TDP1 | |
| SCHEMBL18357928 | 0.75 | CYP3A4 (0.46) | TSHRGPR35CYP3A4MAPK1TDP1 | |
| SCHEMBL29965062 | 0.75 | CYP1A2 (0.46) | TSHRGPR35CYP3A4TDP1HSD17B10 | |
| SCHEMBL14441148 | 0.75 | USP7 (0.41) | TSHRGPR35CYP3A4MAPK1TDP1 | |
| SCHEMBL2681454 | 0.73 | USP7 (0.58) | GPR35CYP3A4CYP1A2VCAM1 | |
| SCHEMBL2681533 | 0.72 | VCAM1 (0.44) | TSHRGPR35CYP3A4MAPK1TDP1 | |
| SCHEMBL12104562 | 0.71 | TSHR (0.46) | TSHRGPR35TDP1 | |
| SCHEMBL1456043 | 0.71 | DAO (0.55) | TSHRGPR35VCAM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1684745-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-12-17 | — | — | EP | disclosed |
| EP-2033654-B1 | Process for resolving a mixture of alkyl ester enantiomers using an enzyme | BRISTOL MYERS SQUIBB CO (US) | 2012-05-16 | — | — | EP | disclosed |
| EP-2033654-A1 | Macrocyclic isoquinoline peptide inhibitors of hepatitis c virus | Bristol-Myers Squibb Company (US) | 2009-03-11 | — | — | EP | disclosed |
| EP-1629000-B1 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL MYERS SQUIBB CO (US) | 2009-02-18 | — | — | EP | disclosed |
| US-7309708-B2 | Hepatitis C virus inhibitors | BIRSTOL-MYERS SQUIBB COMPANY (US) | 2007-12-18 | — | — | US | disclosed |
| US-7309708-B2 | Hepatitis C virus inhibitors | BIRSTOL-MYERS SQUIBB COMPANY (US) | 2007-12-18 | — | — | US | disclosed |
| US-7173004-B2 | Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-02-06 | — | — | US | disclosed |
| US-7173004-B2 | Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-02-06 | — | — | US | disclosed |
| US-7173132-B2 | Certain substituted 1-aryl-3-piperazine-1′-yl propanones | MOLECULAR GERIATRICS CORPORATION (US) | 2007-02-06 | — | — | US | disclosed |
| WO-2005054430-A2 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-16 | — | — | WO | disclosed |
| WO-2004094452-A2 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-04 | — | — | WO | disclosed |
| WO-2003099316-A1 | HETEROCYCLICSULFONAMIDE HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-04 | — | — | WO | disclosed |