Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 6/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.43 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11864788 | 1.00 | CYP3A4 (0.54) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL11860550 | 0.96 | CYP3A4 (0.51) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL10356178 | 0.92 | CYP3A4 (0.57) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL11863722 | 0.92 | CYP3A4 (0.57) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL11859508 | 0.89 | CYP3A4 (0.51) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL11859514 | 0.89 | CYP3A4 (0.51) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL11870140 | 0.88 | CYP3A4 (0.53) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL11864833 | 0.88 | CYP3A4 (0.53) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL11857092 | 0.88 | CYP3A4 (0.56) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL11857085 | 0.88 | CYP3A4 (0.56) | CYP3A4TTRDPP4CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-3953398-A | 3,5-DI-TERT-ALKYL-4-HYDROXYCINNAMIC ACID OR ESTER AS STABILIZER | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1976-04-27 | — | — | US | disclosed |