Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 12/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL9270610 | 0.88 | PNMT (0.39) | PNMTCNR2BACE1 | |
| SCHEMBL9270605 | 0.88 | PNMT (0.39) | PNMTCNR2BACE1 | |
| SCHEMBL9270612 | 0.88 | PNMT (0.39) | PNMTCNR2BACE1 | |
| SCHEMBL9752659 | 0.79 | IDO1 (0.36) | TRPV1CNR2BACE1DRD3 | |
| SCHEMBL9752657 | 0.79 | IDO1 (0.36) | TRPV1CNR2BACE1DRD3 | |
| Hydrochloric Acid SCHEMBL9474553 | 0.77 | KCNE1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL9474567 | 0.77 | KCNE1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL9474561 | 0.77 | KCNE1 (0.35) | — | |
| SCHEMBL9213253 | 0.75 | PNMT (0.38) | PNMTKDM1ACNR2BACE1 | |
| SCHEMBL9213263 | 0.75 | PNMT (0.38) | PNMTKDM1ACNR2BACE1 |
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-1991009031-A1 | TRIFLUOROMETHYL SUBSTITUTED COMPOUNDS AND A PHARMACEUTICAL COMPOSITION | BEECHAM GROUP PLC (GB) | 1991-06-27 | — | — | WO | disclosed |