Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY6 | Q15077 | 2/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | MIF | P14174 | 3/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 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 | |
|---|---|---|---|---|
| SCHEMBL1193625 | 1.00 | P2RY6 (0.74) | P2RY6CYP3A4TSHRMIFCA1 | |
| SCHEMBL5954394 | 0.91 | MIF (0.64) | P2RY6CYP3A4TSHRMIFCA1 | |
| SCHEMBL11697898 | 0.89 | CYP3A4 (0.80) | P2RY6CYP3A4TSHRMIFCA1 | |
| SCHEMBL14108667 | 0.89 | P2RY6 (0.61) | P2RY6CYP3A4TSHRMIFCA1 | |
| SCHEMBL14107953 | 0.89 | P2RY6 (0.61) | P2RY6CYP3A4TSHRMIFCA1 | |
| SCHEMBL17274363 | 0.88 | P2RY6 (0.59) | P2RY6CYP3A4TSHRMIFCA1 | |
| SCHEMBL1853024 | 0.85 | P2RY6 (1.00) | P2RY6CYP3A4TSHRMIFCA1 | |
| SCHEMBL9547715 | 0.85 | P2RY6 (1.00) | P2RY6CYP3A4TSHRMIFCA1 | |
| Bitoscanate SCHEMBL157128 | 0.84 | MIF (0.72) | P2RY6CYP3A4TSHRMIFCA1 | |
| SCHEMBL13633309 | 0.81 | P2RY6 (0.68) | P2RY6CYP3A4TSHRMIFCA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0378895-B1 | A MERCAPTO COMPOUND, A HIGH REFRACTIVE INDEX RESIN AND LENS AND A PROCESS FOR PREPARING THEM | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-07-14 | — | — | EP | disclosed |
| US-5191055-A | Polythiourethanes | MITSUI TOATSU CHEMICALS, INC. (JP) | 1993-03-02 | — | — | US | disclosed |
| US-5087758-A | Polythiourethane monomer | MITSUI TOATSU CHEMICALS, INC. (JP) | 1992-02-11 | — | — | US | disclosed |