Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 4/20 | 0.41 |
| ▸ | HTR2B | P41595 | 4/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9624838 | 0.91 | HCN4 (0.51) | MAPTHCN4CYP3A4ALOX15DRD2 | |
| Hydrochloric Acid SCHEMBL9624535 | 0.90 | CYP3A4 (0.51) | MAPTHCN4CYP3A4ALOX15DRD2 | |
| SCHEMBL9625026 | 0.88 | ADAM17 (0.35) | MAPTDRD2HTR2BADAM17SMN1; SMN2 | |
| SCHEMBL9624609 | 0.85 | ADAM17 (0.34) | DRD2HTR2BADAM17SMN1; SMN2SMPD1 | |
| SCHEMBL10667773 | 0.84 | HCN4 (0.65) | MAPTHCN4CYP3A4ALOX15DRD2 | |
| SCHEMBL9624982 | 0.83 | MAPT (0.44) | MAPTHCN4CYP3A4ALOX15DRD2 | |
| Hydrochloric Acid SCHEMBL10668885 | 0.83 | CYP3A4 (0.66) | MAPTHCN4CYP3A4ALOX15DRD2 | |
| Hydrochloric Acid SCHEMBL10667543 | 0.83 | CYP3A4 (0.66) | MAPTHCN4CYP3A4ALOX15DRD2 | |
| SCHEMBL9624764 | 0.83 | HCN4 (0.46) | MAPTHCN4CYP3A4ALOX15DRD2 | |
| SCHEMBL9623746 | 0.83 | HCN4 (0.46) | MAPTHCN4CYP3A4ALOX15DRD2 |
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 |