Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19726829 | 0.93 | UHRF1 (0.41) | UHRF1CCR1CCR5CCR8KMT2A | |
| SCHEMBL12299272 | 0.84 | UHRF1 (0.46) | UHRF1CCR1CCR5CCR8KMT2A | |
| SCHEMBL18672385 | 0.83 | UHRF1 (0.42) | UHRF1CCR1CCR5CCR8KMT2A | |
| SCHEMBL24453730 | 0.82 | KDM4E (0.38) | UHRF1CCR1CCR5CCR8KMT2A | |
| SCHEMBL4719814 | 0.81 | UHRF1 (0.41) | UHRF1CCR1CCR5CCR8KMT2A | |
| SCHEMBL19003649 | 0.77 | CCR1 (0.48) | CCR1CCR5CCR8NOS2NOS3 | |
| SCHEMBL6641773 | 0.77 | UHRF1 (0.39) | UHRF1CCR1CCR5CCR8KMT2A | |
| SCHEMBL13991779 | 0.76 | UHRF1 (0.46) | UHRF1CCR1CCR5CCR8KMT2A | |
| SCHEMBL20342497 | 0.76 | UHRF1 (0.46) | UHRF1CCR1CCR5CCR8KMT2A | |
| SCHEMBL14670941 | 0.76 | UHRF1 (0.46) | UHRF1CCR1CCR5CCR8KMT2A |
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-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |