Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6660790 | 1.00 | TRPA1 (0.37) | TRPA1LMNAGAASMN1; SMN2SLC6A4 | |
| SCHEMBL706845 | 0.80 | KCNH2 (0.33) | TRPA1LMNAGAAMEN1KMT2A | |
| SCHEMBL7494988 | 0.79 | — | — | |
| SCHEMBL8886977 | 0.79 | TRPA1 (0.31) | TRPA1 | |
| SCHEMBL2008257 | 0.78 | MEN1 (0.30) | MEN1KMT2A | |
| SCHEMBL28549733 | 0.78 | MEN1 (0.30) | MEN1KMT2A | |
| SCHEMBL8391318 | 0.77 | TRPA1 (0.37) | TRPA1LMNASLC6A4SLC6A3SLC6A2 | |
| SCHEMBL7616943 | 0.77 | TDP1 (0.42) | GAASMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL8322524 | 0.77 | KDM4E (0.32) | MEN1KMT2A | |
| SCHEMBL702655 | 0.77 | PRSS1 (0.33) | RIPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1012142-B1 | 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC (CA) | 2004-08-11 | — | — | EP | disclosed |
| US-6046217-A | TREATING AN INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT COMPRISING ADMINISTERING TO A PATIENT IN NEED OF SUCH TREATMENT A NONTOXIC 3-PHENYL SUBSTITUTED PYRIDINES | MERCK FROSST CANADA & CO. (CA) | 2000-04-04 | — | — | US | disclosed |