Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | CTSA | P10619 | 16/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 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 | |
|---|---|---|---|---|
| SCHEMBL18948473 | 0.85 | NOS1 (0.34) | NOS1CTSASLC6A3CACNA2D1 | |
| SCHEMBL20756396 | 0.84 | NOS1 (0.33) | NOS1CTSASLC6A3CACNA2D1 | |
| SCHEMBL23791341 | 0.76 | NOS1 (0.35) | NOS1CTSASLC6A3CACNA2D1 | |
| SCHEMBL2629267 | 0.73 | NOS1 (0.40) | NOS1CTSASLC6A3CACNA2D1 | |
| SCHEMBL10192234 | 0.73 | NOS1 (0.40) | NOS1CTSASLC6A3CACNA2D1 | |
| SCHEMBL19400985 | 0.72 | PSEN1 (0.32) | — | |
| SCHEMBL765512 | 0.72 | — | — | |
| SCHEMBL19504364 | 0.70 | — | — | |
| SCHEMBL20794217 | 0.68 | PSEN1 (0.34) | — | |
| SCHEMBL20989488 | 0.68 | — | — |
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 |