Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4443642 | 0.85 | TAAR1 (0.61) | TRPA1TAAR1 | |
| SCHEMBL17453236 | 0.85 | TAAR1 (0.61) | TRPA1TAAR1 | |
| Benzene SCHEMBL5290987 | 0.85 | TAAR1 (0.61) | TRPA1TAAR1 | |
| SCHEMBL136376 | 0.85 | TAAR1 (0.61) | TRPA1TAAR1 | |
| Hydrogen Peroxide SCHEMBL11692595 | 0.83 | TRPA1 (0.61) | TRPA1TAAR1 | |
| Methane SCHEMBL28848997 | 0.83 | TAAR1 (0.58) | TRPA1TAAR1 | |
| Hydrogen Peroxide SCHEMBL190109 | 0.83 | TRPA1 (0.61) | TRPA1TAAR1 | |
| Ammonia Solution, Strong SCHEMBL6014467 | 0.83 | TAAR1 (0.58) | TRPA1TAAR1 | |
| SCHEMBL31498533 | 0.83 | TAAR1 (0.58) | TRPA1TAAR1 | |
| Water SCHEMBL27860324 | 0.83 | TAAR1 (0.58) | TRPA1TAAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109759127-A | A kind of preparation method for isobutene and the hollow monocrystalline Beta molecular sieve catalyst of benzene liquid-phase alkylation | 中国科学院大连化学物理研究所 | 2019-05-17 | — | — | CN | disclosed |