Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 13/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR3 | P51677 | 1/20 | 0.43 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7827056 | 0.98 | KIF11 (0.44) | KIF11TAAR1CCR1CCR3KCNN4 | |
| SCHEMBL7830838 | 0.89 | KIF11 (0.54) | KIF11TAAR1CCR1CCR3CYP3A4 | |
| SCHEMBL7827029 | 0.88 | KIF11 (0.47) | KIF11TAAR1CCR1CCR3KCNH2 | |
| SCHEMBL7827584 | 0.88 | KIF11 (0.57) | KIF11TAAR1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL7460788 | 0.87 | TAAR1 (0.46) | KIF11TAAR1CCR1CCR3KCNN4 | |
| SCHEMBL7855352 | 0.86 | KIF11 (0.55) | KIF11TAAR1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL7826138 | 0.85 | KIF11 (0.57) | KIF11KCNH2 | |
| SCHEMBL8310962 | 0.85 | CHRM3 (0.39) | KIF11CCR1CCR3CYP2D6CYP2C9 | |
| SCHEMBL8893212 | 0.84 | KIF11 (0.39) | KIF11TAAR1CCR1CCR3ESR1 | |
| SCHEMBL8314216 | 0.83 | CHRM3 (0.38) | KIF11CCR1CCR3CYP2C9CYP2C19 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1219294-A1 | MELANIN CONCENTRATING HORMONE ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2002-07-03 | — | — | EP | disclosed |
| EP-0712845-B1 | Amine compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-10-17 | — | — | EP | disclosed |
| 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 |
| WO-1997024325-A1 | DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-10 | — | — | WO | disclosed |
| US-5633248-A | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS, DIARYLALKYLIDENEDIAMINES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-05-27 | — | — | 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-0712845-A1 | Amine compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-05-22 | — | — | EP | disclosed |
| EP-0679642-A1 | Condensed heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-11-02 | — | — | EP | disclosed |