Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | RARB | P10826 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Isobutylbenzene SCHEMBL363626 | 0.83 | TAAR1 (0.61) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| Isobutylbenzene SCHEMBL113603 | 0.81 | TAAR1 (0.58) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| Isobutylbenzene SCHEMBL7493657 | 0.81 | SIGMAR1 (0.64) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| Isobutylbenzene SCHEMBL57393 | 0.81 | SIGMAR1 (0.64) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| Isobutylbenzene SCHEMBL2571645 | 0.81 | SIGMAR1 (0.64) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| Isobutylbenzene SCHEMBL6544201 | 0.79 | TAAR1 (0.58) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| Isobutylbenzene SCHEMBL11468970 | 0.79 | TAAR1 (0.61) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| Isobutylbenzene SCHEMBL31498540 | 0.79 | SIGMAR1 (0.61) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| Isobutylbenzene SCHEMBL31284788 | 0.79 | SIGMAR1 (0.61) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| Isobutylbenzene SCHEMBL6891614 | 0.79 | SIGMAR1 (0.61) | TRPA1TAAR1SLC6A2SIGMAR1MAOA |
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-114622226-B | Method for electrocatalytic synthesis of alkyl borate | 中国科学院大连化学物理研究所 | 2023-09-08 | — | — | CN | disclosed |