Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL499471 | 0.79 | CYP2D6 (0.61) | CYP2D6KMT2AAPAF1SRCLMNA | |
| SCHEMBL23872457 | 0.79 | CYP2D6 (0.61) | CYP2D6KMT2AAPAF1SRCLMNA | |
| SCHEMBL28171482 | 0.79 | CYP2D6 (0.61) | CYP2D6KMT2AAPAF1SRCLMNA | |
| SCHEMBL4921518 | 0.79 | CYP2D6 (0.61) | CYP2D6KMT2AAPAF1SRCLMNA | |
| SCHEMBL27889239 | 0.78 | CYP2D6 (0.59) | CYP2D6KMT2AAPAF1SRCLMNA | |
| SCHEMBL7054804 | 0.77 | CYP2D6 (0.48) | CYP2D6KMT2ARIPK1APAF1SRC | |
| SCHEMBL31186930 | 0.76 | CYP2D6 (0.57) | CYP2D6 | |
| SCHEMBL6237736 | 0.76 | CYP2D6 (0.57) | CYP2D6KMT2AAPAF1SRCLMNA | |
| SCHEMBL681512 | 0.76 | CYP2C19 (0.52) | CYP2D6RIPK1SRCLMNAMAPK1 | |
| SCHEMBL681077 | 0.76 | CYP2C19 (0.52) | CYP2D6RIPK1SRCLMNAMAPK1 |
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-0641311-A1 | NOVEL DIHYDROXYBENZYLAMINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | Aventis Pharma S.A. (FR) | 1995-03-08 | — | — | EP | disclosed |
| WO-1993023364-A1 | NOVEL DIHYDROXYBENZYLAMINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | RHONE-POULENC RORER S.A. (FR) | 1993-11-25 | — | — | WO | disclosed |