Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10596118 | 0.87 | ALDH1A1 (0.61) | ALDH1A1NPSR1HDAC6HDAC1HDAC3 | |
| SCHEMBL14200299 | 0.87 | CA12 (0.51) | ALDH1A1NPSR1HDAC6HDAC1HDAC3 | |
| SCHEMBL13900722 | 0.85 | MEN1 (0.55) | ALDH1A1HDAC6HDAC1HDAC3HDAC2 | |
| SCHEMBL25230837 | 0.84 | NPSR1 (0.60) | ALDH1A1NPSR1HDAC6HDAC1HDAC3 | |
| SCHEMBL13900720 | 0.83 | NPC1 (0.47) | ALDH1A1MEN1KMT2ATP53KDM4E | |
| SCHEMBL14228915 | 0.81 | HDAC6 (0.62) | ALDH1A1NPSR1HDAC6HDAC1HDAC3 | |
| SCHEMBL13900736 | 0.81 | L3MBTL1 (0.50) | ALDH1A1NPSR1CA12CA9MEN1 | |
| SCHEMBL13900760 | 0.79 | RIPK1 (0.50) | ALDH1A1NPSR1HDAC6HDAC1CA12 | |
| SCHEMBL14200302 | 0.78 | HDAC6 (0.56) | ALDH1A1NPSR1HDAC6HDAC1HDAC3 | |
| SCHEMBL2448810 | 0.78 | HDAC6 (0.65) | ALDH1A1NPSR1HDAC6HDAC1HDAC3 |
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-7504391-B2 | Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders | SCHERING CORPORATION (US) | 2009-03-17 | — | — | US | disclosed |