Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18266512 | 0.89 | LMNA (0.38) | TRPA1PDE2ACYP1A2CYP2A6LMNA | |
| SCHEMBL12808595 | 0.89 | LMNA (0.38) | TRPA1PDE2ACYP1A2CYP2A6LMNA | |
| SCHEMBL11449778 | 0.80 | CYP1A2 (0.43) | TRPA1PDE2ACYP1A2CYP2A6LMNA | |
| SCHEMBL12250615 | 0.79 | TRPA1 (0.43) | TRPA1PDE2ACYP1A2CYP2A6LMNA | |
| SCHEMBL25846306 | 0.77 | TRPA1 (0.38) | TRPA1PDE2ACYP1A2CYP2A6LMNA | |
| SCHEMBL9167871 | 0.77 | TRPA1 (0.38) | TRPA1PDE2ACYP1A2CYP2A6LMNA | |
| SCHEMBL19122843 | 0.77 | TRPA1 (0.38) | TRPA1PDE2ACYP1A2CYP2A6LMNA | |
| SCHEMBL8750382 | 0.74 | TRPA1 (0.35) | TRPA1PDE2ACYP1A2CYP2A6LMNA | |
| SCHEMBL19052273 | 0.74 | KDM5A (0.36) | TRPA1PDE2ACYP1A2CYP2A6LMNA | |
| SCHEMBL8578403 | 0.73 | MAPT (0.37) | TRPA1PDE2ACYP1A2CYP2A6LMNA |
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-3287441-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |