Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.77 |
| ▸ | MAPT | P10636 | 2/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.77 |
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| N-Benzylmethylamine SCHEMBL10482297 | 0.90 | CYP3A4 (0.85) | CYP3A4MAPTKDM4EIDO1TAAR1 | |
| N-Benzylmethylamine SCHEMBL28925162 | 0.90 | CYP3A4 (0.85) | CYP3A4MAPTKDM4EIDO1TAAR1 | |
| SCHEMBL24334039 | 0.90 | CYP3A4 (0.94) | CYP3A4MAPTKDM4EIDO1TAAR1 | |
| N-Benzylmethylamine SCHEMBL11696446 | 0.90 | CYP3A4 (0.94) | CYP3A4MAPTKDM4EIDO1TAAR1 | |
| N-Benzylmethylamine SCHEMBL4609847 | 0.90 | CYP3A4 (0.94) | CYP3A4MAPTKDM4EIDO1TAAR1 | |
| N-Benzylmethylamine SCHEMBL2271 | 0.90 | — | — | |
| N-Benzylmethylamine SCHEMBL8215110 | 0.88 | CYP3A4 (0.74) | CYP3A4MAPTKDM4EIDO1TAAR1 | |
| N-Benzylmethylamine SCHEMBL8083805 | 0.87 | — | — | |
| N-Benzylmethylamine SCHEMBL9346326 | 0.87 | CYP3A4 (0.90) | CYP3A4MAPTKDM4EIDO1TAAR1 | |
| N-Benzylmethylamine SCHEMBL837568 | 0.87 | CYP3A4 (0.90) | CYP3A4MAPTKDM4EIDO1TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0237347-B1 | 1,2,3,4-Tetrahydro-6-substituted-4-aryl (or heterocyclo)-3-[(substituted amino)carbonyl]-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters | E.R. Squibb & Sons, Inc. (US) | 1991-06-12 | — | — | EP | disclosed |
| US-4855301-A | 1,2,3,4-Tetrahydro-6-substituted-4-aryl(or heterocyclo)-3-((substituted amino)carbonyl)-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters | E. R. SQUIBB & SONS, INC. (US) | 1989-08-08 | — | — | US | disclosed |
| EP-0237347-A2 | 1,2,3,4-Tetrahydro-6-substituted-4-aryl (or heterocyclo)-3-[(substituted amino)carbonyl]-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters | E.R. Squibb & Sons, Inc. (US) | 1987-09-16 | — | — | EP | disclosed |