Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | F10 | P00742 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | CALCRL | Q16602 | 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 | |
|---|---|---|---|---|
| SCHEMBL13059221 | 0.89 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CCYP3A4F2 | |
| SCHEMBL1645088 | 0.89 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CCYP3A4F2 | |
| SCHEMBL1683122 | 0.89 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CCYP3A4F2 | |
| SCHEMBL8005984 | 0.89 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CCYP3A4F2 | |
| SCHEMBL3792590 | 0.89 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CCYP3A4F2 | |
| SCHEMBL8002864 | 0.89 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CCYP3A4F2 | |
| SCHEMBL1683120 | 0.89 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CCYP3A4F2 | |
| SCHEMBL8104970 | 0.88 | CYP3A4 (0.38) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL12349775 | 0.88 | CYP3A4 (0.38) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL14216851 | 0.86 | ALDH1A1 (0.33) | — |
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-2089385-B1 | INHIBITORS OF HEPATITIS C VIRUS | BRISTOL MYERS SQUIBB CO (US) | 2016-01-06 | — | — | EP | disclosed |