Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Zolmitriptan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D known ✓ | P28221 | 6/20 | 0.53 |
| ▸ | HTR1B known ✓ | P28222 | 6/20 | 0.53 |
| ▸ | HTR1A | P08908 | 5/20 | 0.53 |
| ▸ | HTR2A | P28223 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Sumatriptan SCHEMBL17596162 | 0.85 | HTR1A (0.49) | HTR1DHTR1BHTR1AHTR2AALDH1A1 | |
| Rizatriptan SCHEMBL17595763 | 0.84 | HTR1D (0.53) | HTR1DHTR1BHTR1AHTR2AALDH1A1 | |
| Eletriptan SCHEMBL17595770 | 0.80 | HTR1B (0.56) | HTR1DHTR1BHTR1AHTR2AALDH1A1 | |
| Diphenhydramine SCHEMBL6682222 | 0.78 | ADORA2B (0.62) | HTR2AKMT2AALDH1A1HTR2CLMNA | |
| Diphenhydramine SCHEMBL28086272 | 0.78 | ADORA2B (0.62) | HTR2AKMT2AALDH1A1HTR2CLMNA | |
| Diphenhydramine SCHEMBL4317477 | 0.78 | ADORA2B (0.62) | HTR2AKMT2AALDH1A1HTR2CLMNA | |
| Diphenhydramine SCHEMBL49392 | 0.78 | ADORA2B (0.62) | HTR2AKMT2AALDH1A1HTR2CLMNA | |
| Naratriptan SCHEMBL17596378 | 0.76 | HTR1A (0.51) | HTR1DHTR1BHTR1AHTR2AADRA1A | |
| Zolmitriptan SCHEMBL1770027 | 0.74 | HTR1D (0.87) | HTR1DHTR1BHTR1AHTR2AKMT2A | |
| Zolmitriptan SCHEMBL2323472 | 0.73 | HTR1D (0.85) | HTR1DHTR1BHTR1AHTR2AKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3191093-A1 | PHARMACEUTICAL COMPOSITIONS | Charleston Laboratories, Inc. (US) | 2017-07-19 | — | — | EP | disclosed |
| WO-2016040358-A1 | PHARMACEUTICAL COMPOSITIONS | CHARLESTON LABORATORIES, INC. (US) | 2016-03-17 | — | — | WO | disclosed |