Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 7/20 | 0.62 |
| ▸ | HTR3A | P46098 | 1/20 | 0.60 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.60 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29455071 | 0.82 | CHRNA7 (0.52) | CHRNA7HTR3ACHRNB4CHRNA3 | |
| SCHEMBL20996768 | 0.82 | CHRNA7 (0.52) | CHRNA7HTR3ACHRNB4CHRNA3 | |
| SCHEMBL16431640 | 0.82 | CHRNA7 (0.52) | CHRNA7HTR3ACHRNB4CHRNA3 | |
| SCHEMBL927767 | 0.77 | CHRNA7 (1.00) | CHRNA7HTR3ACHRNB4CHRNA3 | |
| SCHEMBL928627 | 0.77 | CHRNA7 (0.65) | CHRNA7HTR3ACHRNB4CHRNA3NPC1 | |
| SCHEMBL18016323 | 0.77 | CHRNA7 (1.00) | CHRNA7HTR3ACHRNB4CHRNA3 | |
| SCHEMBL676044 | 0.76 | CHRNA7 (1.00) | CHRNA7HTR3ACHRNB4CHRNA3 | |
| SCHEMBL18016312 | 0.76 | CHRNA7 (1.00) | CHRNA7HTR3ACHRNB4CHRNA3 | |
| SCHEMBL29366074 | 0.76 | CHRNA7 (1.00) | CHRNA7HTR3ACHRNB4CHRNA3 | |
| SCHEMBL14479461 | 0.76 | CHRNA7 (1.00) | CHRNA7HTR3ACHRNB4CHRNA3 |
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-3256126-A1 | COMPOUNDS FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2017-12-20 | — | — | EP | claimed |
| WO-2016128343-A1 | COMPOUNDS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2016-08-18 | — | — | WO | claimed |