Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19446788 | 0.77 | ALDH1A1 (0.42) | ALDH1A1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL2912447 | 0.76 | LMNA (0.33) | ALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL23833991 | 0.74 | ALDH1A1 (0.39) | ALDH1A1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL2625556 | 0.74 | — | — | |
| SCHEMBL2920884 | 0.72 | — | — | |
| SCHEMBL12207151 | 0.72 | ALDH1A1 (0.50) | ALDH1A1CHRNB2CHRNB4CHRNA4POLB | |
| SCHEMBL2407423 | 0.72 | — | — | |
| SCHEMBL4044697 | 0.72 | — | — | |
| SCHEMBL1643939 | 0.72 | — | — | |
| SCHEMBL4579056 | 0.72 | — | — |
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-2328865-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |