Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7436005 | 0.83 | CASP1 (0.46) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL7437750 | 0.80 | CYP2A6 (0.42) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL29779710 | 0.77 | CYP2A6 (0.51) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL10834707 | 0.77 | CYP2A6 (0.51) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL1137837 | 0.74 | CYP19A1 (0.53) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL581419 | 0.73 | CASP1 (0.53) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL7436825 | 0.73 | ALK (0.56) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL9565364 | 0.71 | ALDH1A1 (0.50) | CYP2A6CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL7328164 | 0.71 | CYP2A6 (0.45) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL10845878 | 0.71 | CYP2A6 (0.47) | CYP2A6CYP3A4MAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5278161-A | Racemic mixtures | HOFFMANN-LA ROCHE INC. (US) | 1994-01-11 | — | — | US | disclosed |
| EP-0464572-A2 | Aminoacid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-01-08 | — | — | EP | disclosed |