Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 9/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 8/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 7/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 7/20 | 0.39 |
| ▸ | GCGR | P47871 | 6/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | FRK | P42685 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.39 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11082923 | 0.87 | BRAF (0.57) | BRAFPTGS1PTGS2ESR1ESR2 | |
| SCHEMBL7488369 | 0.81 | PTGS2 (0.64) | BRAFPTGS1PTGS2MAPK14MAPK11 | |
| SCHEMBL11087266 | 0.81 | PTGS2 (0.64) | BRAFPTGS1PTGS2MAPK14MAPK11 | |
| SCHEMBL11092755 | 0.81 | MAPK14 (0.56) | BRAFESR1ESR2MAPK14MAPK11 | |
| SCHEMBL11087416 | 0.81 | MAPK14 (0.56) | BRAFPTGS1PTGS2ESR1ESR2 | |
| SCHEMBL11087907 | 0.78 | ESR1 (0.47) | BRAFESR1ESR2MAPK14MAPK11 | |
| SCHEMBL11087423 | 0.75 | BRAF (0.45) | BRAFESR1ESR2MAPK14MAPK11 | |
| SCHEMBL11087790 | 0.75 | NOX1 (0.50) | BRAFESR1ESR2MAPK14MAPK11 | |
| SCHEMBL9192799 | 0.73 | MAPK11 (0.75) | BRAFPTGS1MAPK14MAPK11MAPK13 | |
| Sb-203580 SCHEMBL146399 | 0.73 | MAPK11 (0.75) | BRAFPTGS1MAPK14MAPK11MAPK13 |
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 |
|---|---|---|---|---|---|---|---|
| US-4472422-A | Antihypertensive 4,5-diaryl-α-polyfluoro-alkyl-1H-imidazole-2-methanamines | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-09-18 | — | — | US | disclosed |
| EP-0023594-B1 | TRANS-QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND MEDICAMENTS CONTAINING THESE DERIVATIVES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-05-16 | — | — | EP | disclosed |