Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL14373125 | 0.87 | ALDH1A1 (0.35) | ADRA2AALDH1A1CYP3A4 | |
| SCHEMBL13464072 | 0.85 | — | — | |
| SCHEMBL14204181 | 0.82 | — | — | |
| SCHEMBL13310337 | 0.76 | ALDH1A1 (0.38) | ALDH1A1CYP3A4 | |
| SCHEMBL21284340 | 0.76 | EPHX1 (0.32) | — | |
| SCHEMBL21432352 | 0.76 | KDM1A (0.37) | KDM1A | |
| SCHEMBL19346909 | 0.74 | KDM1A (0.36) | KDM1A | |
| SCHEMBL16995456 | 0.72 | — | — | |
| SCHEMBL11159471 | 0.71 | ALDH1A1 (0.38) | ALDH1A1CYP3A4 | |
| SCHEMBL14208800 | 0.70 | ADRA2A (0.34) | ADRA2AADRA2BADRA2C |
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-3538528-B1 | PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-12-23 | — | — | EP | disclosed |