Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.52 |
| ▸ | CTSS | P25774 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GLS | O94925 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4080775 | 0.91 | AAK1 (0.51) | AAK1CTSSCTSKCA2HDAC1 | |
| SCHEMBL9744622 | 0.88 | CTSS (0.55) | AAK1CTSSCTSKCA2HDAC1 | |
| SCHEMBL9286086 | 0.87 | AAK1 (0.51) | AAK1CTSSCTSKHDAC1LMNA | |
| SCHEMBL9283981 | 0.87 | AAK1 (0.51) | AAK1CTSSCTSKHDAC1LMNA | |
| SCHEMBL8345117 | 0.86 | CTSS (0.51) | CTSSCTSKCA2LMNAPOLB | |
| SCHEMBL8347951 | 0.86 | CTSS (0.51) | CTSSCTSKCA2LMNAPOLB | |
| SCHEMBL8344155 | 0.86 | CTSS (0.51) | CTSSCTSKCA2LMNAPOLB | |
| SCHEMBL5349230 | 0.83 | HDAC1 (0.48) | AAK1CTSSCTSKHDAC1MEN1 | |
| SCHEMBL29412673 | 0.83 | SMN1; SMN2 (0.52) | AAK1CTSSCTSKCA2GLS | |
| SCHEMBL29156938 | 0.83 | SMN1; SMN2 (0.52) | AAK1CTSSCTSKCA2GLS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0485458-A1 | THIOACYLATING REAGENTS AND INTERMEDIATES, THIOPEPTIDES, AND METHODS FOR PREPARING AND USING SAME. | IAF BIOCHEM INT (CA) | 1992-05-20 | — | — | EP | claimed |
| WO-1991001976-A1 | THIOACYLATING REAGENTS AND INTERMEDIATES, THIOPEPTIDES, AND METHODS FOR PREPARING AND USING SAME | IAF BIOCHEM INTERNATIONAL INC. (CA) | 1991-02-21 | — | — | WO | claimed |