Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7342381 | 0.84 | HDAC3 (0.43) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7339060 | 0.80 | CA1 (0.41) | CTSKALDH1A1SMN1; SMN2 | |
| SCHEMBL7339882 | 0.80 | TSHR (0.34) | HSD17B10 | |
| SCHEMBL7338136 | 0.78 | ACE (0.33) | — | |
| SCHEMBL7347613 | 0.77 | CTSK (0.33) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7340132 | 0.71 | ACE (0.32) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL21874283 | 0.71 | CYP3A4 (0.44) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL7342749 | 0.71 | CTSK (0.33) | CTSKALDH1A1 | |
| SCHEMBL7339039 | 0.70 | — | — | |
| SCHEMBL14343367 | 0.68 | P4HB (0.32) | CTSK |
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-4316906-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1982-02-23 | — | — | US | disclosed |