Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.32 |
| ▸ | PRF1 | P14222 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9624678 | 0.89 | HDAC6 (0.36) | HDAC6MAPTHCN4CYP3A4ALOX15 | |
| SCHEMBL9624752 | 0.88 | HCN4 (0.46) | MAPTHCN4CYP3A4ALOX15KDM4E | |
| SCHEMBL9624906 | 0.88 | MAPT (0.32) | MAPTHCN4CYP3A4ALOX15KMT2A | |
| SCHEMBL9625527 | 0.84 | L3MBTL1 (0.38) | HDAC6MAPTHCN4ALDH1A1SMPD1 | |
| SCHEMBL9624431 | 0.83 | HDAC6 (0.33) | HDAC6MAPTHCN4CYP3A4ALOX15 | |
| SCHEMBL9625705 | 0.83 | DRD2 (0.39) | HDAC6SMPD1DRD2DRD3KCNH2 | |
| SCHEMBL9624575 | 0.80 | CES2 (0.35) | HDAC6MAPTHCN4CYP3A4ALOX15 | |
| SCHEMBL9624134 | 0.80 | L3MBTL1 (0.38) | HDAC6ALDH1A1MEN1KMT2ADRD3 | |
| SCHEMBL9624774 | 0.80 | HDAC6 (0.36) | HDAC6MAPTHCN4CYP3A4ALOX15 | |
| SCHEMBL9624476 | 0.80 | MAPT (0.38) | HDAC6MAPTHCN4CYP3A4ALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5116986-A | HETEROAROMATIC AMINE DERIVATIVES | DR. KARL THOMAE GMBH (DE) | 1992-05-26 | — | — | US | disclosed |
| US-4912115-A | Cardiovascular disorders | DR. KARL THOMAE GMBH (DE) | 1990-03-27 | — | — | US | disclosed |
| EP-0269968-A2 | Heteroaromatic amine derivatives, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-06-08 | — | — | EP | disclosed |