Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 15/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 15/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 12/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 11/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.51 |
| ▸ | USP2 | O75604 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | IDE | P14735 | 1/20 | 0.42 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2242579 | 0.85 | HTR6 (0.41) | CYP1A2CYP3A4CLK4HSD17B10CYP2C19 | |
| SCHEMBL2239882 | 0.72 | PTGDR (0.42) | CYP1A2CYP3A4CLK4HSD17B10CYP2C19 | |
| SCHEMBL11992443 | 0.70 | HTR6 (0.73) | HTR6IDE | |
| SCHEMBL19355276 | 0.69 | CYP1A2 (0.52) | CYP1A2CYP3A4CLK4HSD17B10CYP2C19 | |
| SCHEMBL10820371 | 0.66 | HTR6 (0.71) | HTR6 | |
| SCHEMBL20816293 | 0.66 | CYP1A2 (0.62) | CYP1A2CYP3A4CLK4HSD17B10CYP2C19 | |
| SCHEMBL19355422 | 0.64 | CYP1A2 (0.46) | CYP1A2CYP3A4CLK4HSD17B10CYP2C19 | |
| SCHEMBL2244628 | 0.64 | CYP1A2 (0.59) | CYP1A2CYP3A4CLK4HSD17B10CYP2C19 | |
| SCHEMBL9056570 | 0.63 | HTR2C (0.51) | HSD17B10MEN1KMT2AKDM4EHPGD | |
| SCHEMBL7671291 | 0.63 | HTR6 (0.66) | HTR6IDE |
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 |
|---|---|---|---|---|---|---|---|
| US-7989458-B2 | Pyrimidine derivatives as alk-5 inhibitors | NOVARTIS AG (CH) | 2011-08-02 | — | — | US | claimed |