Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL646475 | 0.81 | HDAC3 (0.42) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL644647 | 0.81 | HDAC3 (0.42) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL7357659 | 0.80 | HDAC3 (0.40) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL9961246 | 0.80 | HDAC3 (0.40) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL7357655 | 0.80 | HDAC3 (0.40) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL7357649 | 0.80 | HDAC3 (0.40) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL20051922 | 0.79 | HDAC3 (0.45) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL16237539 | 0.79 | HDAC3 (0.41) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL9961230 | 0.78 | HDAC3 (0.39) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL8369476 | 0.78 | HDAC3 (0.39) | HDAC3HDAC1HDAC2HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6432923-B1 | ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES | NOVARTIS AG (CH) | 2002-08-13 | — | — | US | disclosed |
| CN-1294576-A | VLA-4 antagonists | NOVARTIS AG (CH) | 2001-05-09 | — | — | CN | disclosed |