Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29038767 | 0.84 | PTPN1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6469058 | 0.82 | GRN (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL25208824 | 0.81 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL10481137 | 0.81 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL11528343 | 0.79 | L3MBTL1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4661128 | 0.78 | HDAC3 (0.48) | ALDH1A1CYP2C19CYP1A2CYP2D6KMT2A | |
| SCHEMBL27833094 | 0.77 | SMN1; SMN2 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8813912 | 0.74 | PTPRB (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9329473 | 0.74 | POLB (0.49) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL11568051 | 0.74 | ALDH1A1 (0.37) | ALDH1A1LMNAERCC5FEN1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4145362-A | DIAZOTIZATION OF ARYLAMINE IN PRESENCE OF ALKANOIC ACID, COPPER HALIDE CATALYST | S.A. P R B EN NEERLANDAIS PRB N.V. (BE) | 1979-03-20 | — | — | US | disclosed |