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 | 7/20 | 0.89 |
| ▸ | HTR1B known ✓ | P28222 | 6/20 | 0.89 |
| ▸ | HTR1A | P08908 | 11/20 | 0.89 |
| ▸ | HTR2A | P28223 | 5/20 | 0.89 |
| ▸ | HTR2C | P28335 | 5/20 | 0.89 |
| ▸ | HTR2B | P41595 | 3/20 | 0.89 |
| ▸ | HTR7 | P34969 | 2/20 | 0.89 |
| ▸ | HTR5A | P47898 | 2/20 | 0.89 |
| ▸ | HTR1E | P28566 | 1/20 | 0.89 |
| ▸ | HTR1F | P30939 | 1/20 | 0.89 |
| ▸ | HTR3A | P46098 | 1/20 | 0.89 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.89 |
| ▸ | HTR6 | P50406 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MPO | P05164 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
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 SCHEMBL183393 | 0.94 | HTR1A (1.00) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL29450235 | 0.94 | HTR1A (1.00) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL1482 | 0.94 | HTR1A (1.00) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL1503483 | 0.93 | HTR1A (0.93) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL29657591 | 0.93 | HTR1A (0.93) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL1421675 | 0.93 | HTR1A (0.98) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL4916383 | 0.93 | HTR1A (0.98) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL6689001 | 0.90 | HTR1A (0.87) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| SCHEMBL2739185 | 0.90 | HTR1A (0.76) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL2404748 | 0.89 | HTR1A (0.85) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004076403-A1 | SUMATRIPTAN CRYSTALLINE FORMS, PHARMACEUTICAL COMPOSITIONS AND METHODS | TRANSFORM PHARMACEUTICALS, INC. (US) | 2004-09-10 | — | — | WO | claimed |
| CN-102933198-B | Formulations comprising triptan compounds | DR. REDDY'S LABORATORIES LTD. (IN) | 2015-10-07 | — | — | CN | disclosed |
| CN-102933198-A | Formulations comprising triptan compounds | REDDYS LAB LTD DR | 2013-02-13 | — | — | CN | disclosed |
| WO-2004076403-A1 | SUMATRIPTAN CRYSTALLINE FORMS, PHARMACEUTICAL COMPOSITIONS AND METHODS | TRANSFORM PHARMACEUTICALS, INC. (US) | 2004-09-10 | — | — | WO | disclosed |