Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28644127 | 0.71 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19TRPA1SMN1; SMN2 | |
| SCHEMBL7896530 | 0.71 | SMN1; SMN2 (0.42) | CYP1A2CYP2C9CYP2C19TRPA1SMN1; SMN2 | |
| SCHEMBL660825 | 0.70 | EPHX1 (0.52) | CYP1A2TRPA1SLC6A2TAAR1TSHR | |
| SCHEMBL22614877 | 0.70 | TRPA1 (0.70) | CYP1A2CYP2C9CYP2C19TRPA1SMN1; SMN2 | |
| SCHEMBL10588679 | 0.69 | SLC6A2 (0.52) | CYP1A2CYP2C9CYP2C19TRPA1SMN1; SMN2 | |
| SCHEMBL29374922 | 0.68 | TRPA1 (0.57) | CYP1A2CYP2C9CYP2C19TRPA1SMN1; SMN2 | |
| SCHEMBL7897859 | 0.68 | SMN1; SMN2 (0.42) | CYP1A2CYP2C9CYP2C19TRPA1SMN1; SMN2 | |
| SCHEMBL10476772 | 0.67 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19TRPA1SMN1; SMN2 | |
| SCHEMBL28607388 | 0.67 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19TRPA1SMN1; SMN2 | |
| SCHEMBL1421007 | 0.67 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19TRPA1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6184323-B1 | FOR OPHTHALMIC LENSES | ESSILOR INTERNATIONAL-COMPAGNIE GENERALE D'OPTIQUE (FR) | 2001-02-06 | — | — | US | claimed |
| EP-0745621-B1 | Polymerisable composition based on thio(meth)acrylate monomer, transparent polymer compositions and their optical use | ESSILOR INT (FR) | 1998-04-15 | — | — | EP | claimed |
| US-6184323-B1 | FOR OPHTHALMIC LENSES | ESSILOR INTERNATIONAL-COMPAGNIE GENERALE D'OPTIQUE (FR) | 2001-02-06 | — | — | US | disclosed |