Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27454547 | 0.86 | THRB (0.43) | NOS3NOS1NOS2TRPA1CYP1A2 | |
| SCHEMBL15031150 | 0.82 | TRPA1 (0.41) | NOS3NOS1NOS2TRPA1CYP1A2 | |
| SCHEMBL25846306 | 0.80 | TRPA1 (0.38) | NOS3NOS1NOS2TRPA1CYP1A2 | |
| SCHEMBL9461082 | 0.78 | TRPA1 (0.55) | TRPA1CYP1A2RAB9ALMNAALDH1A1 | |
| SCHEMBL20252586 | 0.78 | PDE2A (0.41) | NOS3NOS1NOS2TRPA1CYP1A2 | |
| SCHEMBL12808595 | 0.76 | LMNA (0.38) | NOS3NOS1NOS2TRPA1CYP1A2 | |
| SCHEMBL18266512 | 0.76 | LMNA (0.38) | NOS3NOS1NOS2TRPA1CYP1A2 | |
| SCHEMBL21180447 | 0.74 | LMNA (0.60) | TRPA1CYP1A2CYP2A6NPC1RAB9A | |
| SCHEMBL8205123 | 0.74 | LMNA (0.37) | NOS3NOS1NOS2TRPA1CYP1A2 | |
| SCHEMBL6486185 | 0.74 | CASP1 (0.41) | CYP1A2NPC1RAB9ALMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020099645-A1 | INHIBITORS OF METALLO-BETA-LACTAMASES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2020-05-22 | — | — | WO | disclosed |