Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9167096 | 1.00 | KMT2A (0.46) | KMT2ADHFRGGPS1CYP2D6ROCK2 | |
| SCHEMBL7296934 | 0.88 | CHRM2 (0.48) | DHFRCYP2D6ROCK2CYP3A4CYP2C9 | |
| SCHEMBL7296937 | 0.88 | CHRM2 (0.48) | DHFRCYP2D6ROCK2CYP3A4CYP2C9 | |
| SCHEMBL15568242 | 0.82 | KMT2A (0.53) | KMT2ADHFRGGPS1CYP2D6ROCK2 | |
| SCHEMBL9167107 | 0.81 | KMT2A (0.47) | KMT2ADHFRGGPS1CYP2D6ROCK2 | |
| SCHEMBL7348493 | 0.78 | PPARA (0.38) | PPARASOD1 | |
| SCHEMBL7348489 | 0.78 | PPARA (0.38) | PPARASOD1 | |
| SCHEMBL911167 | 0.77 | KMT2A (0.51) | KMT2ADHFRGGPS1CYP2D6ROCK2 | |
| SCHEMBL11041123 | 0.77 | TLR4 (0.55) | KMT2AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL11041121 | 0.77 | TLR4 (0.55) | KMT2AKDM4EALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5459142-A | Autoimmune disease, atherosclerosis, antiischemic agents and nephritis | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-10-17 | — | — | US | disclosed |
| EP-0511879-B1 | Pyrazine derivatives | OTSUKA PHARMA CO LTD (JP) | 1995-03-22 | — | — | EP | disclosed |
| EP-0511879-A1 | Pyrazine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-11-04 | — | — | EP | disclosed |