Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B known ✓ | P28222 | 5/20 | 0.61 |
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.61 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.61 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.61 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.61 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.61 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.61 |
| ▸ | HTR1D known ✓ | P28221 | 4/20 | 0.57 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.57 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.57 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.57 |
| ▸ | HTR6 | P50406 | 17/20 | 0.64 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.61 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.61 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.61 |
| ▸ | HTR1F | P30939 | 2/20 | 0.57 |
| ▸ | HTR7 | P34969 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL1069044 | 1.00 | HTR6 (0.64) | HTR6HTR1BHTR1ACHRM2ADRA2A | |
| SCHEMBL1069045 | 1.00 | HTR6 (0.64) | HTR6HTR1BHTR1ACHRM2ADRA2A | |
| SCHEMBL10083480 | 0.96 | HTR6 (0.66) | HTR6HTR1BHTR1ACHRM2ADRA2A | |
| SCHEMBL505789 | 0.96 | HTR6 (0.66) | HTR6HTR1BHTR1ACHRM2ADRA2A | |
| SCHEMBL505788 | 0.96 | HTR6 (0.66) | HTR6HTR1BHTR1ACHRM2ADRA2A | |
| SCHEMBL798333 | 0.96 | HTR6 (0.66) | HTR6HTR1BHTR1ACHRM2ADRA2A | |
| SCHEMBL505790 | 0.96 | HTR6 (0.66) | HTR6HTR1BHTR1ACHRM2ADRA2A | |
| Bromide SCHEMBL505855 | 0.96 | HTR6 (0.65) | HTR6HTR1BHTR1ACHRM2ADRA2A | |
| Bromide SCHEMBL505856 | 0.96 | HTR6 (0.65) | HTR6HTR1BHTR1ACHRM2ADRA2A | |
| Bromide SCHEMBL505854 | 0.96 | HTR6 (0.65) | HTR6HTR1BHTR1ACHRM2ADRA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011004391-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF ELETRIPTAN AND ITS SALT THEREOF | MATRIX LABORATORIES LTD (IN) | 2011-01-13 | — | — | WO | disclosed |