Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY6 | Q15077 | 2/20 | 1.00 |
| ▸ | MIF | P14174 | 8/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1853024 | 1.00 | P2RY6 (1.00) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL347652 | 0.89 | P2RY6 (0.79) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL27467439 | 0.87 | P2RY6 (0.76) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL5186242 | 0.87 | P2RY6 (0.76) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL8503279 | 0.87 | P2RY6 (0.76) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL3880561 | 0.87 | P2RY6 (0.76) | P2RY6MIFCA1CA2CYP2A6 | |
| SCHEMBL6417472 | 0.87 | P2RY6 (0.76) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL1193625 | 0.85 | P2RY6 (0.74) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL9547731 | 0.85 | P2RY6 (0.74) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL9840376 | 0.85 | P2RY6 (0.73) | P2RY6MIFCA1CA2HSD17B10 |
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 |