Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8310700 | 0.96 | TSHR (0.32) | OPRM1OPRL1TSHRCCR1HDAC9 | |
| SCHEMBL8312613 | 0.90 | HDAC9 (0.33) | CCR1HDAC9 | |
| SCHEMBL8314830 | 0.86 | SLC6A4 (0.30) | SLC6A4 | |
| SCHEMBL8311308 | 0.85 | CHRNA7 (0.34) | CCR1SLC6A4 | |
| SCHEMBL8316230 | 0.85 | CCR1 (0.39) | CCR1SLC6A4 | |
| SCHEMBL8315042 | 0.84 | SLC6A4 (0.31) | SLC6A4 | |
| SCHEMBL8310417 | 0.81 | HDAC9 (0.30) | HDAC9 | |
| Hydrochloric Acid SCHEMBL8317259 | 0.79 | HTR7 (0.39) | CCR1HTR7 | |
| Hydrochloric Acid SCHEMBL8313713 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL8702259 | 0.77 | HDAC9 (0.38) | TSHRHDAC9 |
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 |