Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL19359969 | 0.85 | CTSK (0.35) | CTSKCTSSHDAC6CA1CA2 | |
| SCHEMBL18924789 | 0.85 | CTSS (0.31) | CTSKCTSS | |
| SCHEMBL14593926 | 0.83 | ELANE (0.36) | CTSKCTSSHDAC6CA1CA2 | |
| SCHEMBL14991049 | 0.83 | ALDH1A1 (0.33) | LMNATSHR | |
| SCHEMBL27516490 | 0.81 | CTSS (0.37) | CTSKCTSSHDAC6CA1CA2 | |
| SCHEMBL13104622 | 0.79 | CA1 (0.35) | CTSKCTSSHDAC6CA1CA2 | |
| SCHEMBL2984787 | 0.79 | CA1 (0.35) | CTSKCTSSHDAC6CA1CA2 | |
| SCHEMBL2982727 | 0.79 | CA1 (0.35) | CTSKCTSSHDAC6CA1CA2 | |
| SCHEMBL6897890 | 0.79 | CA1 (0.37) | CTSKCTSSHDAC6CA1CA2 | |
| SCHEMBL12306267 | 0.78 | HDAC6 (0.38) | CTSKCTSSHDAC6CA1CA2 |
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-9670200-B2 | Quaternary ammonium salt prodrugs | ALKERMES PHARMA IRELAND LIMITED (IE) | 2017-06-06 | — | — | US | disclosed |