Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.36 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ADAMTS5 | Q9UNA0 | 3/20 | 0.33 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL1011632 | 0.81 | HDAC8 (0.57) | HDAC8GAACXCR4PLA2G10PLA2G5 | |
| SCHEMBL5182408 | 0.79 | THRA (0.43) | HDAC8GAATHRATHRBCXCR4 | |
| SCHEMBL5062730 | 0.79 | CXCR4 (0.42) | HDAC8GAATHRATHRBCXCR4 | |
| SCHEMBL5306952 | 0.79 | CXCR4 (0.42) | HDAC8GAATHRATHRBCXCR4 | |
| SCHEMBL28722955 | 0.79 | CXCR4 (0.53) | HDAC8GAATHRATHRBCXCR4 | |
| SCHEMBL3156973 | 0.79 | MAPT (0.50) | HDAC8GAATHRATHRBCXCR4 | |
| SCHEMBL8402315 | 0.79 | GAA (0.42) | HDAC8GAATHRATHRBCXCR4 | |
| Hydrochloric Acid SCHEMBL5062842 | 0.77 | CXCR4 (0.41) | HDAC8GAATHRATHRBCXCR4 | |
| SCHEMBL11827557 | 0.75 | KDM4E (0.54) | HDAC8GAATHRATHRBCXCR4 | |
| SCHEMBL9402139 | 0.75 | NPSR1 (0.51) | GAATHRATHRBALDH1A1POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6043254-A | ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-03-28 | — | — | US | claimed |
| WO-1999051590-A1 | SUBSTITUTED INDOLINONES AS KINASE INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-14 | — | — | WO | claimed |
| US-6043254-A | ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-03-28 | — | — | US | disclosed |
| WO-1999051590-A1 | SUBSTITUTED INDOLINONES AS KINASE INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-14 | — | — | WO | disclosed |