Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.46 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | ALB | P02768 | 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 | |
|---|---|---|---|---|
| Isobutylbenzene SCHEMBL28150610 | 1.00 | TAAR1 (0.50) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL2571645 | 0.86 | SIGMAR1 (0.64) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL57393 | 0.86 | SIGMAR1 (0.64) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL7493657 | 0.86 | SIGMAR1 (0.64) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL27343561 | 0.84 | TAAR1 (0.56) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL28231782 | 0.84 | TAAR1 (0.56) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL6891614 | 0.84 | SIGMAR1 (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL31284788 | 0.84 | SIGMAR1 (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL31498540 | 0.84 | SIGMAR1 (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL11468970 | 0.84 | TAAR1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116997464-A | Glass laminate article and adhesive composition therefor | 康宁股份有限公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-109563269-B | Aromatic polythiol compound for optical material | SKC株式会社 | 2021-07-23 | — | — | CN | disclosed |
| EP-1155418-B1 | MEDICAL TOOLS AND DEVICES WITH IMPROVED ULTRASOUND VISIBILITY | GE HEALTHCARE LTD (GB) | 2007-04-11 | — | — | EP | disclosed |