Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 7/20 | 0.33 |
| ▸ | HTR2B | P41595 | 6/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9623990 | 0.84 | SIGMAR1 (0.36) | SIGMAR1CYP3A4MAPTHCN4DRD2 | |
| SCHEMBL10666142 | 0.83 | DRD1 (0.36) | SIGMAR1CYP3A4KDM4ECYP2D6CYP2C19 | |
| SCHEMBL9624609 | 0.81 | ADAM17 (0.34) | DRD2HTR2BDRD1DRD3SMPD1 | |
| SCHEMBL9624412 | 0.80 | KDM4E (0.34) | CYP3A4KDM4ECYP2D6CYP2C19MAPT | |
| SCHEMBL9624670 | 0.80 | CYP3A4 (0.34) | SIGMAR1CYP3A4KDM4ECYP2D6CYP2C19 | |
| SCHEMBL9625216 | 0.78 | TACR2 (0.41) | SIGMAR1KDM4EMAPTTSHRDRD2 | |
| SCHEMBL9624338 | 0.78 | SIGMAR1 (0.34) | SIGMAR1CYP3A4KDM4ECYP2D6CYP2C19 | |
| SCHEMBL9624838 | 0.78 | HCN4 (0.51) | CYP3A4MAPTHCN4DRD2HTR2B | |
| SCHEMBL9624904 | 0.78 | MAPT (0.37) | SIGMAR1CYP3A4KDM4ECYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL9624535 | 0.77 | CYP3A4 (0.51) | CYP3A4MAPTHCN4DRD2HTR2B |
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 |