Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8159872 | 0.82 | TAAR1 (0.58) | TAAR1AOC3TRPA1RIPK1KDM4E | |
| SCHEMBL2736634 | 0.82 | TAAR1 (0.58) | TAAR1AOC3TRPA1RIPK1KDM4E | |
| SCHEMBL583097 | 0.82 | TAAR1 (0.58) | TAAR1AOC3TRPA1RIPK1KDM4E | |
| SCHEMBL5888979 | 0.82 | CASR (0.50) | TAAR1AOC3 | |
| SCHEMBL5888983 | 0.82 | CASR (0.50) | TAAR1AOC3 | |
| SCHEMBL4048471 | 0.79 | PTGS1 (0.57) | TSHR | |
| SCHEMBL11024335 | 0.78 | ESR1 (0.41) | TAAR1AOC3TRPA1RIPK1 | |
| SCHEMBL1006801 | 0.77 | HDAC4 (0.62) | HDAC4HDAC2HDAC8TAAR1TRPA1 | |
| SCHEMBL27548676 | 0.76 | TAAR1 (0.47) | TAAR1AOC3TRPA1RIPK1KDM4E | |
| SCHEMBL5471184 | 0.75 | HDAC4 (0.41) | HDAC4HDAC2HDAC8TAAR1AOC3 |
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-0083685-B1 | MANUFACTURE OF DIISOCYANATES | AMERICAN CYANAMID COMPANY (US) | 1985-03-06 | — | — | EP | disclosed |
| US-4395369-A | REACTING ISOCYANIC ACID WITH A TERT-ARALLKYL CHLORIDE OR DICHLORIDE IN A SOLVENT; EFFICIENCY | AMERICAN CYANAMID COMPANY (US) | 1983-07-26 | — | — | US | disclosed |
| EP-0083685-A1 | Manufacture of diisocyanates | AMERICAN CYANAMID COMPANY (US) | 1983-07-20 | — | — | EP | disclosed |