Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2643269 | 0.79 | NOS3 (0.41) | DRD2TBXA2RNOS3NOS1CYP2D6 | |
| SCHEMBL7611040 | 0.78 | ESR1 (0.43) | NOS3NOS1CYP2D6ESR1ESR2 | |
| SCHEMBL29861106 | 0.78 | ESR1 (0.43) | NOS3NOS1CYP2D6ESR1ESR2 | |
| SCHEMBL30231388 | 0.78 | LMNA (0.44) | NOS3NOS1CYP2D6ESR1ESR2 | |
| SCHEMBL40655 | 0.77 | NOS3 (0.54) | NOS3NOS1ESR1ESR2UGT2B7 | |
| SCHEMBL9331061 | 0.77 | NOS3 (0.54) | NOS3NOS1ESR1ESR2UGT2B7 | |
| SCHEMBL9331652 | 0.77 | NOS3 (0.54) | NOS3NOS1ESR1ESR2UGT2B7 | |
| SCHEMBL9331190 | 0.77 | NOS3 (0.54) | NOS3NOS1ESR1ESR2UGT2B7 | |
| SCHEMBL40702 | 0.76 | NOS3 (0.42) | NOS3NOS1ESR1ESR2UGT2B7 | |
| SCHEMBL19466093 | 0.76 | TSHR (0.52) | NOS3NOS1ESR1ESR2UGT2B7 |
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-0704433-B1 | NOVEL SULFONIUM SALT COMPOUND AND POLYMERIZATION INITIATOR | NIPPON SODA CO (JP) | 1998-10-14 | — | — | EP | disclosed |
| US-5639903-A | CURE EPOXIDES UNDER HEATING IN SHORT TIME | NIPPON SODA CO., LTD. (JP) | 1997-06-17 | — | — | US | disclosed |
| EP-0704433-A1 | NOVEL SULFONIUM SALT COMPOUND AND POLYMERIZATION INITIATOR | NIPPON SODA CO., LTD. (JP) | 1996-04-03 | — | — | EP | disclosed |