Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL275453 | 0.77 | ALDH1A1 (0.44) | CYP2A6CYP1A2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL10319492 | 0.77 | CYP2A6 (0.44) | CYP2A6CYP1A2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL17966499 | 0.77 | CYP2A6 (0.44) | CYP2A6CYP1A2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL8216176 | 0.77 | CYP2A6 (0.44) | CYP2A6CYP1A2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL275454 | 0.76 | ALDH1A1 (0.48) | CYP2A6CYP1A2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL14600076 | 0.76 | ALDH1A1 (0.48) | CYP2A6CYP1A2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL14666536 | 0.76 | ALDH1A1 (0.48) | CYP2A6CYP1A2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL5125405 | 0.76 | ALDH1A1 (0.46) | CYP1A2ALDH1A1CYP2D6TSHRHSD17B10 | |
| SCHEMBL20979873 | 0.76 | HTR1B (0.39) | CYP2A6ALDH1A1ALOX15 | |
| SCHEMBL20979870 | 0.73 | KCNH2 (0.44) | CYP1A2ALDH1A1CYP2C19CYP2D6HPGD |
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-0710241-A1 | NOVEL SILYLATED BENZYLAMINE DERIVATIVES, SALTS THEREOF, METHODS OF MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | PIERRE FABRE MEDICAMENT (FR) | 1996-05-08 | — | — | EP | disclosed |
| WO-1995003313-A1 | NOVEL SILYLATED BENZYLAMINE DERIVATIVES, SALTS THEREOF, METHODS OF MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | PIERRE FABRE MEDICAMENT (FR) | 1995-02-02 | — | — | WO | disclosed |