Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 6/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8314216 | 0.98 | CHRM3 (0.38) | CHRM3CHRM2CHRM1KIF11ESR1 | |
| SCHEMBL8310441 | 0.89 | KCNN4 (0.42) | CHRM3CHRM2CHRM1KIF11ESR1 | |
| SCHEMBL8312683 | 0.89 | KIF11 (0.47) | KIF11TSHROPRM1CCR1CCR3 | |
| SCHEMBL8312952 | 0.86 | CHRM2 (0.41) | CHRM3CHRM2CHRM1KIF11TDP1 | |
| SCHEMBL7466656 | 0.85 | KIF11 (0.45) | KIF11ESR1ESR2CYP2C9CYP2C19 | |
| SCHEMBL7827056 | 0.83 | KIF11 (0.44) | KIF11CYP2C9CYP2C19CCR1CCR3 | |
| SCHEMBL11301244 | 0.83 | ESR1 (0.55) | CHRM3CHRM2CHRM1KIF11ESR1 | |
| SCHEMBL7827584 | 0.82 | KIF11 (0.57) | KIF11CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL7827029 | 0.82 | KIF11 (0.47) | CHRM3KIF11ESR1ESR2CYP2C9 | |
| SCHEMBL561220 | 0.81 | CHRM2 (0.46) | CHRM3CHRM2CHRM1ESR1ESR2 |
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 |