Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 9/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10400846 | 0.96 | MAPT (0.40) | MAPTHCN4CYP3A4ALOX15SMPD1 | |
| SCHEMBL9624425 | 0.88 | HCN4 (0.51) | MAPTHCN4CYP3A4ALOX15SMPD1 | |
| Hydrochloric Acid SCHEMBL9625697 | 0.87 | CYP3A4 (0.52) | MAPTHCN4CYP3A4ALOX15SMPD1 | |
| Hydrochloric Acid SCHEMBL9624321 | 0.87 | CYP3A4 (0.52) | MAPTHCN4CYP3A4ALOX15SMPD1 | |
| SCHEMBL9625873 | 0.87 | SMPD1 (0.35) | MAPTHCN4CYP3A4ALOX15SMPD1 | |
| SCHEMBL9624720 | 0.84 | HCN4 (0.46) | MAPTHCN4CYP3A4ALOX15SMPD1 | |
| SCHEMBL9624538 | 0.83 | BCHE (0.37) | SMPD1BCHE | |
| SCHEMBL9624931 | 0.83 | HCN4 (0.46) | MAPTHCN4CYP3A4ALOX15SMPD1 | |
| SCHEMBL9624761 | 0.82 | HCN4 (0.45) | MAPTHCN4CYP3A4ALOX15SMPD1 | |
| SCHEMBL9625273 | 0.82 | ALDH1A1 (0.42) | MAPTHCN4CYP3A4ALOX15SMPD1 |
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 |