Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 8/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8315366 | 0.93 | ACHE (0.45) | TDP1ACHE | |
| SCHEMBL7816549 | 0.79 | CCR3 (0.45) | KMT2A | |
| SCHEMBL7830286 | 0.79 | KIF11 (0.39) | KMT2A | |
| SCHEMBL7459803 | 0.77 | CHRM4 (0.50) | DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL7467316 | 0.76 | CHRM4 (0.52) | DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL8869803 | 0.76 | CHRM4 (0.52) | DRD2DRD3 | |
| SCHEMBL7462064 | 0.75 | MCHR1 (0.54) | KMT2A | |
| Hydrochloric Acid SCHEMBL7458878 | 0.75 | MCHR1 (0.54) | KMT2A | |
| SCHEMBL7465175 | 0.75 | DRD3 (0.51) | TDP1DRD2DRD3 | |
| SCHEMBL7464640 | 0.74 | MCHR1 (0.53) | KMT2ADRD2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0679642-B1 | Condensed heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1999-11-10 | — | — | EP | disclosed |
| US-5654296-A | HORMONE INHIBITOR; NERVOUS SYSTEM DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-08-05 | — | — | US | disclosed |
| US-5607939-A | CALCIUM ANTAGONIST, GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONIST AND MONOAMINEU UPTAKE INHIBITORS FOR CENTRAL NERVOUS SYSTEM DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-03-04 | — | — | US | disclosed |
| EP-0679642-A1 | Condensed heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-11-02 | — | — | EP | disclosed |