Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Sumatriptan. 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 | 4/20 | 0.49 |
| ▸ | HTR1B known ✓ | P28222 | 4/20 | 0.49 |
| ▸ | HTR1A | P08908 | 5/20 | 0.49 |
| ▸ | HTR2A | P28223 | 4/20 | 0.49 |
| ▸ | HTR2C | P28335 | 3/20 | 0.49 |
| ▸ | HTR2B | P41595 | 3/20 | 0.49 |
| ▸ | HTR1E | P28566 | 1/20 | 0.49 |
| ▸ | HTR1F | P30939 | 1/20 | 0.49 |
| ▸ | HTR7 | P34969 | 1/20 | 0.49 |
| ▸ | HTR3A | P46098 | 1/20 | 0.49 |
| ▸ | HTR5A | P47898 | 1/20 | 0.49 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Rizatriptan SCHEMBL17595763 | 0.87 | HTR1D (0.53) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Zolmitriptan SCHEMBL17595394 | 0.85 | HTR1D (0.53) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Naratriptan SCHEMBL17596378 | 0.83 | HTR1A (0.51) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL17596129 | 0.83 | HTR2C (0.63) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Eletriptan SCHEMBL17595770 | 0.81 | HTR1B (0.56) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Diphenhydramine SCHEMBL4317477 | 0.80 | ADORA2B (0.62) | HTR2AHTR2CHTR2BMAPK1TDP1 | |
| Diphenhydramine SCHEMBL6682222 | 0.80 | ADORA2B (0.62) | HTR2AHTR2CHTR2BMAPK1TDP1 | |
| Diphenhydramine SCHEMBL28086272 | 0.80 | ADORA2B (0.62) | HTR2AHTR2CHTR2BMAPK1TDP1 | |
| Diphenhydramine SCHEMBL49392 | 0.80 | ADORA2B (0.62) | HTR2AHTR2CHTR2BMAPK1TDP1 | |
| Almotriptan SCHEMBL17596234 | 0.73 | HTR2A (0.61) | HTR1AHTR1DHTR1BHTR2AHTR2C |
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 |