Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18160955 | 0.84 | ALDH1A1 (0.38) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL23029706 | 0.81 | SREBF2 (0.42) | ALDH1A1CYP2A6HSD17B10TDP1 | |
| SCHEMBL13261664 | 0.79 | ALDH1A1 (0.43) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL18675900 | 0.77 | HPRT1 (0.38) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL715676 | 0.77 | ALDH1A1 (0.31) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL21177753 | 0.77 | PTGS1 (0.41) | ALDH1A1CYP2A6HSD17B10 | |
| SCHEMBL6313109 | 0.73 | ALDH1A1 (0.31) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL1097973 | 0.72 | CYP2A6 (0.41) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL1587845 | 0.72 | PDE6D (0.40) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL21014749 | 0.72 | LIMK1 (0.39) | — |
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-6927216-B2 | Cyclic sulfonyl compounds as inhibitors of metalloproteases | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-08-09 | — | — | US | disclosed |