Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR1 | P25024 | 2/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.40 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.39 |
| ▸ | P4HB | P07237 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27336403 | 0.83 | PTGDR2 (0.40) | PARP15PARP10PARP2PTGDR2NCEH1 | |
| SCHEMBL28209125 | 0.81 | USP30 (0.53) | PARP15PARP10PARP2PTGDR2NCEH1 | |
| SCHEMBL15495941 | 0.79 | NCEH1 (0.39) | CXCR1CXCR2PTGDR2NCEH1P4HB | |
| SCHEMBL19558272 | 0.79 | ELANE (0.42) | CXCR1CXCR2NCEH1P4HB | |
| SCHEMBL13724523 | 0.74 | MAPT (0.47) | PTGDR2CA2MEN1KMT2ACA1 | |
| SCHEMBL388024 | 0.74 | AR (0.51) | P4HBCA2CA1 | |
| SCHEMBL28057940 | 0.74 | P4HB (0.39) | CXCR1CXCR2PTGDR2NCEH1P4HB | |
| SCHEMBL28426175 | 0.73 | ALOX15 (0.43) | PTGDR2MEN1KMT2A | |
| Methyl Alcohol SCHEMBL27451617 | 0.73 | AR (0.50) | P4HB | |
| SCHEMBL3371911 | 0.73 | TRPA1 (0.45) | CA2CA9MEN1KMT2ACA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1261611-A2 | INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-12-04 | — | — | EP | disclosed |
| EP-1107948-A4 | AN IMPROVED SYNTHESIS OF 3-HYDROXY-4-AMINO-BENZONITRILE | SMITHKLINE BEECHAM (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2001064678-A2 | INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-09-07 | — | — | WO | disclosed |
| EP-1107948-A1 | AN IMPROVED SYNTHESIS OF 3-HYDROXY-4-AMINO-BENZONITRILE | Smithkline Beecham (US) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000012468-A1 | AN IMPROVED SYNTHESIS OF 3-HYDROXY-4-AMINO-BENZONITRILE | SMITHKLINE BEECHAM CORPORATION (US) | 2000-03-09 | — | — | WO | disclosed |