Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | SRC | P12931 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27679472 | 0.90 | ALDH1A1 (0.54) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL113808 | 0.88 | CYP2D6 (0.46) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL9462237 | 0.86 | CYP2D6 (0.44) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL28629490 | 0.86 | ALDH1A1 (0.50) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL27640717 | 0.86 | CYP1A2 (0.45) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL1955 | 0.82 | ESR1 (0.53) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL29816355 | 0.82 | CYP2D6 (0.52) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL841362 | 0.82 | KMT2A (0.49) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL9939344 | 0.80 | PTGS2 (0.46) | CYP1A2PKMSMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL2575993 | 0.80 | CYP2D6 (0.50) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 |
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-2007011910-A2 | CHIRAL AMINE-CATALYZED ASYMMETRIC ADDITION OF CARBON-CENTERED NUCLEOPHILES TO IMINES | TRUSTEES OF BOSTON UNIVERSITY (US) | 2007-01-25 | — | — | WO | disclosed |