Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 3/20 | 0.39 |
| ▸ | NOS1 | P29475 | 3/20 | 0.39 |
| ▸ | NOS2 | P35228 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | AXL | P30530 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL4373757 | 0.92 | HTR2A (0.38) | DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL4384328 | 0.90 | PTPN1 (0.36) | LTA4HPTGS2DRD2HTR2AHTR2C | |
| SCHEMBL4381198 | 0.89 | PTPN1 (0.38) | LTA4HPTGS2ALDH1A1DRD2HTR2A | |
| SCHEMBL4384579 | 0.88 | PTPN1 (0.37) | HTR2AHTR2CHTR2B | |
| SCHEMBL4381287 | 0.87 | CTSS (0.36) | NOS3NOS1NOS2ALDH1A1DRD2 | |
| SCHEMBL4378503 | 0.85 | PTPN1 (0.48) | HTR2AHTR2CHTR2B | |
| SCHEMBL3742273 | 0.83 | PTPN1 (0.36) | HTR2AHTR2CHTR2B | |
| SCHEMBL4373580 | 0.83 | MCHR1 (0.36) | MCHR1 | |
| SCHEMBL4379622 | 0.82 | PTPN1 (0.37) | HTR2AHTR2CHTR2BMCHR1HTR1A | |
| SCHEMBL3732060 | 0.81 | PTPN1 (0.52) | HTR2AHTR2CHTR2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910359-B1 | PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-11-18 | — | — | EP | claimed |