Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TERT | O14746 | 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 | |
|---|---|---|---|---|
| SCHEMBL9624749 | 0.87 | HCN4 (0.44) | MAPTHCN4CYP3A4ALOX15 | |
| SCHEMBL9624208 | 0.86 | GNRHR (0.33) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL9624372 | 0.82 | TERT (0.46) | CYP2C9TSHRCYP2C19TDP1CYP3A4 | |
| SCHEMBL9624933 | 0.81 | HDAC6 (0.38) | HDAC6MAPTHCN4CYP3A4ALOX15 | |
| SCHEMBL9624729 | 0.78 | KDM4E (0.34) | CYP2C9TSHRCYP2C19HDAC6MAPT | |
| SCHEMBL9623751 | 0.77 | MAPT (0.35) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL9624248 | 0.76 | HDAC6 (0.35) | HDAC6MAPTHCN4CYP3A4ALOX15 | |
| SCHEMBL9624431 | 0.75 | HDAC6 (0.33) | HDAC6MAPTHCN4CYP3A4ALOX15 | |
| SCHEMBL9624276 | 0.75 | ACHE (0.38) | HDAC6ALDH1A1 | |
| SCHEMBL9625083 | 0.75 | HDAC6 (0.37) | TSHRHDAC6MAPTHCN4CYP3A4 |
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 |