Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 4/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.41 |
| ▸ | NMT1 | P30419 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL28157944 | 0.88 | CTSK (0.49) | HRH3CYP1A2CYP2C19HRH4MALT1 | |
| Hydrochloric Acid SCHEMBL2348015 | 0.77 | HRH3 (0.66) | HRH3CYP1A2CYP2C19TDP1HRH4 | |
| SCHEMBL12526894 | 0.75 | HRH3 (0.68) | HRH3CYP1A2CYP2C19TDP1HRH4 | |
| Hydrochloric Acid SCHEMBL1748490 | 0.74 | HRH3 (0.66) | HRH3CYP1A2CYP2C19TDP1HRH4 | |
| SCHEMBL2416455 | 0.73 | CCR6 (0.45) | HRH3HRH4MAPK1NMT1 | |
| SCHEMBL12890046 | 0.72 | BPTF (0.49) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23048632 | 0.71 | MAPK1 (0.58) | HRH3CYP1A2CYP2C19TDP1HRH4 | |
| SCHEMBL30815053 | 0.71 | CTSK (0.74) | HRH3CYP1A2CYP2C19TDP1HRH4 | |
| SCHEMBL27226580 | 0.71 | CTSK (0.74) | HRH3CYP1A2CYP2C19TDP1HRH4 | |
| SCHEMBL30661965 | 0.70 | KCNH2 (0.55) | HRH3HRH4MAPK1NMT1CTSK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008071587-A2 | 2-(PIPERIDIN-4-YL)-4-PHENOXY- OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-19 | — | — | WO | disclosed |