Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNRHR | P30968 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9624622 | 0.87 | GNRHR (0.46) | GNRHRMAPTHCN4CYP3A4ALOX15 | |
| SCHEMBL9624487 | 0.84 | HCN4 (0.53) | MAPTHCN4CYP3A4ALOX15BCHE | |
| SCHEMBL9624944 | 0.81 | MAPT (0.41) | MAPTHCN4CYP3A4ALOX15BCHE | |
| SCHEMBL9624380 | 0.80 | MAPT (0.39) | MAPTHCN4CYP3A4ALOX15BCHE | |
| Hydrochloric Acid SCHEMBL9624724 | 0.79 | CYP3A4 (0.40) | MAPTHCN4CYP3A4ALOX15BCHE | |
| SCHEMBL9625671 | 0.79 | KDM4E (0.38) | GNRHRMAPTBCHEKDM4ETGFBR1 | |
| SCHEMBL9625109 | 0.79 | ALOX15 (0.39) | MAPTHCN4CYP3A4ALOX15CYP2D6 | |
| SCHEMBL9624933 | 0.77 | HDAC6 (0.38) | GNRHRMAPTHCN4CYP3A4ALOX15 | |
| SCHEMBL9623969 | 0.77 | GNRHR (0.47) | GNRHRCYP3A4CYP2D6KDM4ETSHR | |
| SCHEMBL9624289 | 0.76 | CYP2D6 (0.37) | MAPTHCN4CYP3A4ALOX15BCHE |
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 |