Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY6 | Q15077 | 4/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | LTA | P01374 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.36 |
| ▸ | RAD51 | Q06609 | 2/20 | 0.36 |
| ▸ | RAD1 | O60671 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL1548629 | 1.00 | P2RY6 (0.44) | P2RY6MIFPNMTGABRA1GABRB2 | |
| SCHEMBL348839 | 0.85 | P2RY6 (0.41) | P2RY6MIFPNMTGABRA1GABRB2 | |
| SCHEMBL26469 | 0.81 | CYP3A4 (0.56) | GABRA1GABRB2CYP3A4ALDH1A1TDP1 | |
| SCHEMBL3036837 | 0.79 | P2RY6 (0.45) | P2RY6MIFPNMTCYP3A4ALDH1A1 | |
| SCHEMBL3291990 | 0.77 | P2RY6 (0.44) | P2RY6MIFPNMTGABRA1GABRB2 | |
| SCHEMBL16707534 | 0.76 | P2RY6 (0.42) | P2RY6MIFPNMTCYP3A4ALDH1A1 | |
| SCHEMBL25592509 | 0.75 | KMT2A (0.51) | ALDH1A1MAPTTDP1KDM4EKMT2A | |
| SCHEMBL11574824 | 0.74 | TDP1 (0.42) | P2RY6MIFPNMTGABRA1GABRB2 | |
| SCHEMBL11747655 | 0.74 | RAB9A (0.51) | P2RY6MIFPNMTCYP3A4ALDH1A1 | |
| SCHEMBL15574155 | 0.74 | P2RY6 (0.41) | P2RY6MIFPNMTGABRA1CYP3A4 |
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 |