Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 12/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 9/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 4/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13727656 | 0.81 | HDAC1 (0.45) | CYP2C19HIF1AHDAC1HDAC3HDAC2 | |
| SCHEMBL2294500 | 0.80 | KMT2A (0.47) | CYP2C19HIF1AMAPK1MAPTKMT2A | |
| SCHEMBL5206145 | 0.73 | HDAC1 (0.41) | CYP2C19HDAC1HDAC3HDAC2MAPK1 | |
| SCHEMBL11659911 | 0.73 | HDAC1 (0.49) | CYP2C19HDAC1HDAC3HDAC2MAPK1 | |
| SCHEMBL28400732 | 0.71 | ALDH1A1 (0.50) | CYP2C19HIF1AMAPTKDM4EALDH1A1 | |
| SCHEMBL19775165 | 0.68 | MAPT (0.43) | CYP2C19HDAC1HDAC3HDAC2MAPK1 | |
| SCHEMBL29666932 | 0.67 | MAPT (0.46) | CYP2C19HDAC1HDAC3HDAC2MAPK1 | |
| SCHEMBL1269273 | 0.67 | MAPT (0.46) | CYP2C19HDAC1HDAC3HDAC2MAPK1 | |
| SCHEMBL1573830 | 0.67 | CYP2C19 (0.60) | CYP2C19HIF1AHDAC1HDAC3HDAC2 | |
| SCHEMBL9806434 | 0.67 | NPSR1 (0.44) | CYP2C19HDAC1HDAC3HDAC2MAPK1 |
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-8003806-B2 | Integrin antagonists useful as anticancer agents | OSI Pharmaceuticals, LLC (US) | 2011-08-23 | — | — | US | disclosed |