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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D known ✓ | P28221 | 9/20 | 0.87 |
| ▸ | HTR1B known ✓ | P28222 | 8/20 | 0.87 |
| ▸ | HTR1A | P08908 | 10/20 | 0.87 |
| ▸ | HTR2A | P28223 | 4/20 | 0.87 |
| ▸ | HTR2C | P28335 | 3/20 | 0.87 |
| ▸ | HTR7 | P34969 | 2/20 | 0.87 |
| ▸ | HTR5A | P47898 | 2/20 | 0.87 |
| ▸ | HTR2B | P41595 | 2/20 | 0.87 |
| ▸ | HTR1E | P28566 | 1/20 | 0.87 |
| ▸ | HTR1F | P30939 | 1/20 | 0.87 |
| ▸ | HTR3A | P46098 | 1/20 | 0.87 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.87 |
| ▸ | HTR6 | P50406 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
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 SCHEMBL1556482 | 0.95 | HTR1A (0.85) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL2404748 | 0.95 | HTR1A (0.85) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL29360288 | 0.95 | HTR1A (0.85) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL2405528 | 0.95 | HTR1A (0.85) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL41674 | 0.95 | HTR1A (0.85) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL2323014 | 0.94 | HTR1A (0.84) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL6684827 | 0.94 | HTR1A (0.84) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL4132936 | 0.94 | HTR1A (0.84) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL27887904 | 0.94 | HTR1A (0.84) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| Sumatriptan SCHEMBL29450235 | 0.93 | HTR1A (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2004076403-A1 | SUMATRIPTAN CRYSTALLINE FORMS, PHARMACEUTICAL COMPOSITIONS AND METHODS | TRANSFORM PHARMACEUTICALS, INC. (US) | 2004-09-10 | — | — | WO | claimed |
| WO-2004076403-A1 | SUMATRIPTAN CRYSTALLINE FORMS, PHARMACEUTICAL COMPOSITIONS AND METHODS | TRANSFORM PHARMACEUTICALS, INC. (US) | 2004-09-10 | — | — | WO | disclosed |