Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Semotiadil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.38 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | EDNRA | P25101 | 7/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | EDNRB | P24530 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 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 | |
|---|---|---|---|---|
| Semotiadil SCHEMBL7299286 | 1.00 | CYP3A4 (0.64) | CYP3A4EDNRAMEN1KMT2AL3MBTL1 | |
| Semotiadil SCHEMBL7382921 | 1.00 | CYP3A4 (0.64) | CYP3A4EDNRAMEN1KMT2AL3MBTL1 | |
| Levosemotiadil SCHEMBL30873510 | 1.00 | CYP3A4 (0.64) | CYP3A4EDNRAMEN1KMT2AL3MBTL1 | |
| Semotiadil SCHEMBL7382925 | 1.00 | CYP3A4 (0.64) | CYP3A4EDNRAMEN1KMT2AL3MBTL1 | |
| Fumaric Acid SCHEMBL9748072 | 0.99 | CYP3A4 (0.62) | CYP3A4EDNRAMEN1KMT2AL3MBTL1 | |
| Fumaric Acid SCHEMBL9748067 | 0.99 | CYP3A4 (0.62) | CYP3A4EDNRAMEN1KMT2AL3MBTL1 | |
| Fumaric Acid SCHEMBL9749763 | 0.98 | CYP3A4 (0.61) | CYP3A4EDNRAMEN1KMT2AL3MBTL1 | |
| Fumaric Acid SCHEMBL9749768 | 0.98 | CYP3A4 (0.61) | CYP3A4EDNRAMEN1KMT2AL3MBTL1 | |
| Oxalic Acid SCHEMBL9748438 | 0.95 | CYP3A4 (0.66) | CYP3A4EDNRAMEN1KMT2ASLC6A9 | |
| Semotiadil SCHEMBL80715 | 0.94 | CYP3A4 (0.68) | CYP3A4EDNRAMEN1KMT2ARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| JP-5000949-A | — | — | None | — | — | JP | disclosed |
| US-6281208-B1 | E.G., 3,4-DIHYDRO-2-(5-METHOXY-2-(3-(N-METHYL-N-(2-((3,4-METHYLENEDI OXY) PHENOXY)ETHYL)AMINO)PROPOXY)PHENYL)-4-METHYL-3-OXO-2H-1,4-BENZ | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2001-08-28 | — | — | US | disclosed |
| EP-0492164-B1 | Therapeutic agent for glaucoma containing 2-phenyl-3-oxo-2H-1,4-benzothiazine derivatives | SANTEN PHARMACEUTICAL CO LTD (JP) | 1996-02-07 | — | — | EP | disclosed |
| JP-H05949-A | KIDNEY FUNCTION IMPROVING AND KIDNEY PROTECTING AGENT | SANTEN PHARMACEUT CO LTD | 1993-01-08 | — | — | JP | disclosed |
| EP-0492164-A1 | Therapeutic agent for glaucoma containing 2-phenyl-3-oxo-2H-1,4-benzothiazine derivatives | SANTEN PHARMACEUTICAL CO., LTD (JP) | 1992-07-01 | — | — | EP | disclosed |