Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.36 |
| ▸ | GPR88 | Q9GZN0 | 3/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28219340 | 0.81 | TRPA1 (0.69) | TRPA1TAAR1RIPK1AOC3LMNA | |
| SCHEMBL335496 | 0.80 | TAAR1 (0.56) | TRPA1TAAR1RIPK1HTR2AHRH1 | |
| SCHEMBL4377765 | 0.78 | TSHR (0.42) | — | |
| SCHEMBL22305164 | 0.75 | TRPA1 (0.50) | TRPA1TAAR1HTR2AHRH1AOC3 | |
| SCHEMBL4379781 | 0.75 | TAAR1 (0.50) | TRPA1TAAR1RIPK1HTR2AHRH1 | |
| SCHEMBL4379785 | 0.75 | TAAR1 (0.50) | TRPA1TAAR1RIPK1HTR2AHRH1 | |
| SCHEMBL18465433 | 0.73 | RIPK1 (0.52) | TRPA1TAAR1RIPK1AOC3SMN1; SMN2 | |
| SCHEMBL190949 | 0.72 | RIPK1 (0.59) | TRPA1TAAR1RIPK1AOC3LMNA | |
| SCHEMBL11586850 | 0.71 | LMNA (0.37) | LMNA | |
| Ammonia Solution, Strong SCHEMBL6014394 | 0.70 | RIPK1 (0.57) | TRPA1TAAR1RIPK1AOC3SMN1; SMN2 |
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-6703458-B2 | COORDINATION CATALYSTS; SPHERICAL MORPHOLOGY | BASELL POLYOLEFINE GMBH (DE) | 2004-03-09 | — | — | US | disclosed |
| US-20030018146-A1 | Catalyst components for the polymerization of olefins | EQUISTAR CHEMICALS, LP | 2003-01-23 | — | — | US | disclosed |