Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.48 |
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 | 0.91 | TAAR1 (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL113603 | 0.88 | TAAR1 (0.58) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL2571645 | 0.88 | SIGMAR1 (0.64) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL57393 | 0.88 | SIGMAR1 (0.64) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL7493657 | 0.88 | SIGMAR1 (0.64) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL11468970 | 0.85 | TAAR1 (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL6891614 | 0.85 | SIGMAR1 (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL1894392 | 0.85 | SIGMAR1 (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL31284788 | 0.85 | SIGMAR1 (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL31498540 | 0.85 | SIGMAR1 (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107075103-A | The method that makrolon is manufactured using liquid alcohol/ketone mixtures | 沙特基础工业全球技术有限公司 | 2017-08-18 | — | — | CN | disclosed |
| CN-103857745-B | Polycarbonate resin composition | 出光兴产株式会社 | 2016-08-31 | — | — | CN | disclosed |