Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.40 |
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 SCHEMBL7493657 | 0.79 | SIGMAR1 (0.64) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL57393 | 0.79 | SIGMAR1 (0.64) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL2571645 | 0.79 | SIGMAR1 (0.64) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| Ethylbenzene SCHEMBL1114888 | 0.79 | TP53 (0.58) | SIGMAR1ACHEHPGD | |
| Isobutylbenzene SCHEMBL31284788 | 0.77 | SIGMAR1 (0.61) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL11468970 | 0.77 | TAAR1 (0.61) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL31498540 | 0.77 | SIGMAR1 (0.61) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL363626 | 0.77 | TAAR1 (0.61) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL6891614 | 0.77 | SIGMAR1 (0.61) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL1894392 | 0.77 | SIGMAR1 (0.61) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1402524-A2 | SOLVENT COMPOSITION AND PROCESS FOR MANUFACTURING AN OPTICAL RECORDING MEDIUM USING SAID COMPOSITION AND OPTICAL RECORDING MEDIUM | Ciba SC Holding AG (CH) | 2004-03-31 | — | — | EP | disclosed |
| WO-2003034146-A2 | SOLVENT COMPOSITION AND PROCESS FOR MANUFACTURING AN OPTICAL RECORDING MEDIUM USING SAID COMPOSITION AND OPTICAL RECORDING MEDIUM | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2003-04-24 | — | — | WO | disclosed |