Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | ALPG | P10696 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30668365 | 0.89 | CYP1A2 (0.58) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9150145 | 0.85 | CYP3A4 (0.70) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18781368 | 0.82 | CYP1A2 (0.60) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20734753 | 0.82 | IDO1 (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL18781148 | 0.79 | CYP2D6 (0.56) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28902097 | 0.78 | CYP2C19 (0.67) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1709949 | 0.77 | CYP1A2 (0.60) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8412649 | 0.76 | CYP3A4 (0.58) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20806989 | 0.75 | BCHE (0.44) | HRH4HRH3 | |
| SCHEMBL575701 | 0.75 | TP53 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105102444-B | Sulfomimino-containing 5-fluoro-N- (pyridin-2-yl) pyridin-2-amine derivatives | 拜耳医药股份有限公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-104918932-B | The amine derivative of N (base of pyridine 2) pyrimidine 4 of the imine group containing sulphur | 拜耳药业股份公司 | 2017-07-18 | — | — | CN | disclosed |
| EP-1934238-B1 | TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | MELINTA THERAPEUTICS INC (US) | 2017-06-28 | — | — | EP | disclosed |
| US-5422353-A | Alzheimer*s disease, glaucoma treatment | BOEHRINGER INGELHEIM KG (DE) | 1995-06-06 | — | — | US | disclosed |
| EP-0325263-B1 | TETRAHYDROPYRIDINE DERIVATIVES | BOEHRINGER INGELHEIM KG (DE) | 1992-09-23 | — | — | EP | disclosed |
| EP-0325263-A1 | Tetrahydropyridine derivatives | BOEHRINGER INGELHEIM KG (DE) | 1989-07-26 | — | — | EP | disclosed |