Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21862490 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP1A2CYP2C19NPSR1 | |
| SCHEMBL752923 | 0.83 | CYP1A2 (0.56) | ALDH1A1CYP2C9CYP1A2CYP2C19KDM4E | |
| SCHEMBL5811959 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP1A2CYP2C19NPSR1 | |
| SCHEMBL5811958 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP1A2CYP2C19NPSR1 | |
| SCHEMBL20707236 | 0.82 | CYP1A2 (0.52) | ALDH1A1CYP2C9CYP1A2CYP2C19KDM4E | |
| SCHEMBL18522656 | 0.82 | CYP1A2 (0.52) | ALDH1A1CYP2C9CYP1A2CYP2C19KDM4E | |
| SCHEMBL4860306 | 0.79 | ALDH1A1 (0.45) | ALDH1A1CYP2C9CYP1A2NPSR1TMEM97 | |
| SCHEMBL4860312 | 0.79 | ALDH1A1 (0.45) | ALDH1A1CYP2C9CYP1A2NPSR1TMEM97 | |
| SCHEMBL6845476 | 0.79 | ALDH1A1 (0.45) | ALDH1A1CYP2C9CYP1A2NPSR1TMEM97 | |
| SCHEMBL30486880 | 0.79 | ALDH1A1 (0.45) | ALDH1A1CYP2C9CYP1A2NPSR1TMEM97 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5663173-A | CENTRAL NERVOUS SYSTEM DISORDERS, COGNITION ACTIVATORS, PYCHOSES, ANTIDEPRESSANTS AND EATING DISORDERS | SYNTHELABO (FR) | 1997-09-02 | — | — | US | claimed |
| EP-0748807-A1 | Derivatives of N-(1,4-diazabicyclo(2.2.2)-oct-2-yl)methyl benzamide, their preparation and their therapeutical use | SYNTHELABO (FR) | 1996-12-18 | — | — | EP | claimed |
| US-5663173-A | CENTRAL NERVOUS SYSTEM DISORDERS, COGNITION ACTIVATORS, PYCHOSES, ANTIDEPRESSANTS AND EATING DISORDERS | SYNTHELABO (FR) | 1997-09-02 | — | — | US | disclosed |
| EP-0748807-A1 | Derivatives of N-(1,4-diazabicyclo(2.2.2)-oct-2-yl)methyl benzamide, their preparation and their therapeutical use | SYNTHELABO (FR) | 1996-12-18 | — | — | EP | disclosed |