Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | CTSC | P53634 | 1/20 | 0.45 |
| ▸ | FASN | P49327 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22530278 | 0.92 | GAA (0.48) | CYP3A4MAOAMAOBCTSLCTSB | |
| SCHEMBL6517320 | 0.84 | CTSS (0.44) | MAOAMAOBCTSLCTSBCTSS | |
| SCHEMBL12777806 | 0.83 | ANPEP (0.46) | CYP3A4FASNANPEP | |
| SCHEMBL2077140 | 0.83 | ANPEP (0.46) | CYP3A4FASNANPEP | |
| SCHEMBL12951932 | 0.83 | ANPEP (0.46) | CYP3A4FASNANPEP | |
| SCHEMBL8009498 | 0.82 | MAOA (0.49) | MAOAMAOBCTSLCTSBCTSS | |
| SCHEMBL11808959 | 0.81 | CYP3A4 (0.47) | CYP3A4CTSSCTSK | |
| SCHEMBL428508 | 0.80 | GBA1 (0.50) | — | |
| SCHEMBL6519387 | 0.80 | CTSS (0.46) | CYP3A4CTSSCTSK | |
| SCHEMBL1609623 | 0.79 | MAOA (0.58) | MAOAMAOBCTSLCTSBCTSS |
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-2940019-B1 | SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC (JP) | 2018-03-28 | — | — | EP | disclosed |