Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | F2R | P25116 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11163987 | 0.82 | CYP2C9 (0.32) | CYP2C9CYP2C19KMT2AHTT | |
| SCHEMBL5607045 | 0.72 | CYP2C9 (0.33) | CYP2C9CYP2C19 | |
| SCHEMBL1153549 | 0.70 | HTT (0.38) | CASP1ALDH1A1CYP2C9CYP2C19KMT2A | |
| SCHEMBL8770898 | 0.70 | NLRP3 (0.41) | CASP1MAPTALDH1A1F2RNLRP3 | |
| SCHEMBL27700965 | 0.69 | KMT2A (0.31) | ALDH1A1KMT2A | |
| SCHEMBL7692625 | 0.69 | LMNA (0.38) | CASP1MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL31198075 | 0.68 | PIN1 (0.46) | CASP1ALDH1A1F2RNLRP3PIN1 | |
| SCHEMBL7896534 | 0.68 | CYP2C9 (0.33) | ALDH1A1CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL15916867 | 0.67 | CASP1 (0.70) | CASP1MAPTALDH1A1F2RPIN1 | |
| SCHEMBL8675831 | 0.67 | ALDH1A1 (0.35) | CASP1MAPTALDH1A1CA12CA1 |
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-5741831-A | Polymerizable compositions based on thio (meth) acrylate monomers, polymers with a low yellow index obtained from such compositions, and corresponding ophthalmic lenses | ESSILOR INTERNATIONAL - COMPAGNIE GENERALE D'OPTIQUE (FR) | 1998-04-21 | — | — | US | disclosed |