Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.34 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL224235 | 0.76 | HRH4 (0.49) | TRPV4PDK2 | |
| SCHEMBL28327501 | 0.74 | F2 (0.46) | MLYCDHDAC1HDAC6PARP15PARP10 | |
| SCHEMBL7076049 | 0.72 | ALDH1A1 (0.56) | PTGDR2MRGPRX4TRPV4 | |
| Trifluoroacetic Acid SCHEMBL7511044 | 0.72 | CXCR2 (0.41) | MLYCDHDAC1HDAC6TRPV4TMPRSS4 | |
| SCHEMBL29559790 | 0.71 | ALDH1A1 (0.57) | — | |
| SCHEMBL220780 | 0.71 | ALDH1A1 (0.57) | — | |
| SCHEMBL7076047 | 0.71 | HRH4 (0.38) | PTGDR2MRGPRX4TRPV4 | |
| SCHEMBL16336032 | 0.70 | MKNK2 (0.40) | PTGDR2TRPV4 | |
| SCHEMBL15184491 | 0.69 | SLC22A12 (0.36) | TRPV4 | |
| SCHEMBL28142832 | 0.69 | ENPP2 (0.38) | NCEH1PTGDR2TRPV4PARP15PARP10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1107948-A4 | AN IMPROVED SYNTHESIS OF 3-HYDROXY-4-AMINO-BENZONITRILE | SMITHKLINE BEECHAM (US) | 2002-01-02 | — | — | EP | 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 |