Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.36 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20122469 | 0.90 | CHRM1 (0.34) | CHRM1TBXA2RADRA1ANFKB1NFKB2 | |
| SCHEMBL20122493 | 0.89 | ACE (0.39) | ACEMMEACE2CHRM1TBXA2R | |
| SCHEMBL20122441 | 0.88 | MME (0.31) | ACEMMEACE2CHRM1TBXA2R | |
| SCHEMBL20122450 | 0.86 | ACE (0.37) | ACEMMEACE2CHRM1TBXA2R | |
| SCHEMBL20122563 | 0.86 | MME (0.30) | ACEMMEACE2 | |
| SCHEMBL20122559 | 0.86 | CYP1A2 (0.33) | — | |
| SCHEMBL20122560 | 0.85 | CYP1A2 (0.31) | — | |
| SCHEMBL20122496 | 0.84 | ACE (0.34) | ACEMMEACE2CHRM1TBXA2R | |
| SCHEMBL20122564 | 0.84 | — | — | |
| SCHEMBL20122437 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9963428-B1 | Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2018-05-08 | — | — | US | disclosed |