Known targets — ChEMBL curated mechanism
CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8
The experimentally established mechanism targets of Pinosylvin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.56 |
| ▸ | TTR | P02766 | 5/20 | 0.54 |
| ▸ | CA12 | O43570 | 4/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.49 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | CA6 | P23280 | 4/20 | 0.49 |
| ▸ | CA9 | Q16790 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | CA3 | P07451 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | CA4 | P22748 | 3/20 | 0.49 |
| ▸ | CA5A | P35218 | 3/20 | 0.49 |
| ▸ | CA7 | P43166 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Pinosylvin SCHEMBL3624890 | 1.00 | LCK (0.56) | LCKTTRCA12CA1CA2 | |
| SCHEMBL22887505 | 0.81 | TTR (0.62) | LCKTTRCA12CA1CA2 | |
| Gallic Acid SCHEMBL17105845 | 0.81 | CA12 (0.74) | TTRCA12CA1CA2CA6 | |
| SCHEMBL28675472 | 0.80 | TTR (0.65) | LCKTTRCA12CA1CA2 | |
| Gallic Acid SCHEMBL28677301 | 0.77 | HDAC3 (0.63) | TTRCA12CA1CA2CA6 | |
| SCHEMBL9728967 | 0.77 | KDM4E (0.52) | TTRCA12CA1CA2CA6 | |
| SCHEMBL10807601 | 0.77 | TTR (0.70) | LCKTTRCA12CA1CA2 | |
| SCHEMBL10807599 | 0.77 | TTR (0.70) | LCKTTRCA12CA1CA2 | |
| SCHEMBL2979470 | 0.76 | LCK (0.73) | LCKTTRKDM4EALDH1A1LMNA | |
| SCHEMBL2979473 | 0.76 | LCK (0.73) | LCKTTRKDM4EALDH1A1LMNA |
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-2391658-A1 | MOLECULARLY IMPRINTED POLYMERS | Commonwealth Scientific and Industrial Research Organisation (AU) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010085851-A1 | MOLECULARLY IMPRINTED POLYMERS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2010-08-05 | — | — | WO | disclosed |