Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | PLK1 | P53350 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19310330 | 0.90 | SIGMAR1 (0.43) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13856312 | 0.83 | SIGMAR1 (0.43) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20405379 | 0.82 | SIGMAR1 (0.44) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21028074 | 0.81 | SIGMAR1 (0.47) | SIGMAR1CYP1A2CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL25555640 | 0.81 | SIGMAR1 (0.45) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20999115 | 0.80 | ALDH1A1 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6481487 | 0.80 | SIGMAR1 (0.46) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13854486 | 0.80 | SIGMAR1 (0.46) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23047 | 0.80 | SIGMAR1 (0.46) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL75887 | 0.80 | SIGMAR1 (0.46) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2797871-B1 | CROSSLINKABLE ARYLAMINE COMPOUNDS | NISSAN CHEMICAL IND LTD (JP) | 2018-05-09 | — | — | EP | disclosed |
| WO-2018016742-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2018-01-25 | — | — | WO | disclosed |