Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29097001 | 0.90 | TDP1 (0.40) | CHRM2CHRM1CHRM3TDP1CYP2C19 | |
| SCHEMBL8310962 | 0.86 | CHRM3 (0.39) | CHRM2CHRM1CHRM3TDP1CYP2C19 | |
| SCHEMBL561220 | 0.85 | CHRM2 (0.46) | CHRM2CHRM1CHRM3TDP1CYP2C19 | |
| SCHEMBL8314216 | 0.85 | CHRM3 (0.38) | CHRM2CHRM1CHRM3TDP1CYP2C19 | |
| SCHEMBL7460788 | 0.84 | TAAR1 (0.46) | CHRM3TDP1CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL11301244 | 0.79 | ESR1 (0.55) | CHRM2CHRM1CHRM3KIF11MEN1 | |
| SCHEMBL5732977 | 0.77 | TSHR (0.41) | CYP1A2KIF11MEN1LMNAKMT2A | |
| SCHEMBL7847425 | 0.77 | KIF11 (0.57) | CYP2C19CYP2C9KIF11CYP2D6TAAR1 | |
| SCHEMBL1983594 | 0.77 | CYP2D6 (0.37) | CHRM2CHRM1CHRM3CYP2C19CYP1A2 | |
| SCHEMBL8312683 | 0.77 | KIF11 (0.47) | KIF11SMN1; SMN2MEN1LMNAKMT2A |
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 5 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 |
| WO-1998002432-A1 | BICYCLIC COMPOUNDS FOR CONTROLLING MICTURITION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-01-22 | — | — | WO | 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 |