Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOX | P28300 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | KCNB1 | Q14721 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PLAT | P00750 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
| ▸ | ACVR2A | P27037 | 1/20 | 0.30 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.30 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.30 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | APLNR | P35414 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22299535 | 0.91 | LOX (0.41) | LOXLOXL2PDE4DAAK1KCNB1 | |
| SCHEMBL20705814 | 0.91 | LOX (0.41) | LOXLOXL2PDE4DAAK1KCNB1 | |
| SCHEMBL19866339 | 0.91 | LOX (0.41) | LOXLOXL2PDE4DAAK1KCNB1 | |
| SCHEMBL20259848 | 0.88 | LOX (0.44) | LOXLOXL2PDE4DAAK1KCNB1 | |
| SCHEMBL18707542 | 0.80 | LOX (0.49) | LOXLOXL2AAK1KCNB1IDO1 | |
| SCHEMBL22363297 | 0.80 | LOX (0.45) | LOXLOXL2PDE4DAAK1KCNB1 | |
| SCHEMBL22299306 | 0.79 | LOX (0.41) | LOXLOXL2PDE4DAAK1KCNB1 | |
| SCHEMBL21398753 | 0.78 | RECQL (0.36) | LOXLOXL2 | |
| SCHEMBL175672 | 0.77 | CCR1 (0.38) | — | |
| SCHEMBL18763956 | 0.77 | MEN1 (0.41) | PDE4D |
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 |