Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL14980674 | 0.59 | MAPK8 (0.32) | CYP1A2CYP2C19MEN1ALDH1A1RAB9A | |
| SCHEMBL13113437 | 0.59 | MAPT (0.47) | MEN1ALDH1A1ACHE | |
| SCHEMBL14980641 | 0.57 | MEN1 (0.31) | MEN1ALDH1A1RAB9AL3MBTL1 | |
| SCHEMBL28030672 | 0.56 | CSNK2A1 (0.48) | MEN1ALDH1A1RAB9A | |
| SCHEMBL3743443 | 0.56 | KDM4E (0.43) | ALDH1A1L3MBTL1ACHE | |
| SCHEMBL27945485 | 0.56 | HTT (0.36) | ALDH1A1ACHE | |
| SCHEMBL18878941 | 0.56 | MAP2K3 (0.44) | CYP1A2CYP2C19MEN1ALDH1A1RAB9A | |
| Ammonia Solution, Strong SCHEMBL28139473 | 0.55 | KDM4E (0.42) | ALDH1A1L3MBTL1ACHE | |
| SCHEMBL13175224 | 0.55 | SMN1; SMN2 (0.39) | ALDH1A1RAB9A | |
| SCHEMBL13174918 | 0.55 | ALDH1A1 (0.38) | MEN1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2411396-B1 | THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS SA (CH) | 2013-05-29 | — | — | EP | disclosed |