Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.34 |
| ▸ | HRH2 | P25021 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13732379 | 0.85 | LOXL2 (0.32) | — | |
| SCHEMBL20369633 | 0.83 | NOS3 (0.37) | TSHRPDE10ANOS3NOS1NOS2 | |
| SCHEMBL4673562 | 0.82 | CCR1 (0.34) | PDE10A | |
| SCHEMBL30376070 | 0.78 | CCR1 (0.48) | — | |
| SCHEMBL13262552 | 0.78 | NOS3 (0.33) | PDE10ANOS3NOS2 | |
| SCHEMBL8288283 | 0.78 | CCR1 (0.48) | — | |
| SCHEMBL20471170 | 0.77 | HSD11B1 (0.31) | — | |
| SCHEMBL18131291 | 0.77 | SMN1; SMN2 (0.33) | TSHR | |
| Hydrochloric Acid SCHEMBL25180538 | 0.75 | SMN1; SMN2 (0.32) | TDP1 | |
| SCHEMBL24086639 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1899323-A2 | PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS | AstraZeneca AB (SE) | 2008-03-19 | — | — | EP | disclosed |
| WO-2006123113-A2 | PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2006-11-23 | — | — | WO | disclosed |