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 | 0.98 |
| ▸ | HTR1B known ✓ | P28222 | 7/20 | 0.98 |
| ▸ | HTR1A | P08908 | 13/20 | 0.98 |
| ▸ | HTR2C | P28335 | 6/20 | 0.98 |
| ▸ | HTR2A | P28223 | 4/20 | 0.98 |
| ▸ | HTR7 | P34969 | 2/20 | 0.98 |
| ▸ | HTR5A | P47898 | 2/20 | 0.98 |
| ▸ | HTR2B | P41595 | 2/20 | 0.98 |
| ▸ | HTR1E | P28566 | 1/20 | 0.98 |
| ▸ | HTR1F | P30939 | 1/20 | 0.98 |
| ▸ | HTR3A | P46098 | 1/20 | 0.98 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.98 |
| ▸ | HTR6 | P50406 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | MPO | P05164 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
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 SCHEMBL1482 | 0.99 | HTR1A (1.00) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Sumatriptan SCHEMBL183393 | 0.99 | HTR1A (1.00) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Sumatriptan SCHEMBL29450235 | 0.99 | HTR1A (1.00) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Sumatriptan SCHEMBL4916383 | 0.98 | HTR1A (0.98) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Sumatriptan SCHEMBL29657591 | 0.95 | HTR1A (0.93) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Sumatriptan SCHEMBL1503483 | 0.95 | HTR1A (0.93) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Sumatriptan SCHEMBL6688549 | 0.93 | HTR1A (0.89) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Sumatriptan SCHEMBL6689001 | 0.92 | HTR1A (0.87) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| SCHEMBL29355619 | 0.92 | HTR1D (0.87) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Sumatriptan SCHEMBL2404748 | 0.91 | HTR1A (0.85) | HTR1AHTR1DHTR1BHTR2CHTR2A |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170112779-A1 | POLYAMINE ENHANCED FORMULATIONS FOR TRIPTAN COMPOUND IONTOPHORESIS | TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) | 2017-04-27 | — | — | US | claimed |
| US-20130245535-A1 | POLYAMINE ENHANCED FORMULATIONS FOR TRIPTAN COMPOUND IONTOPHORESIS | NUPATHE INC. (US) | 2013-09-19 | — | — | US | claimed |
| US-8366600-B2 | Polyamine enhanced formulations for triptan compound iontophoresis | NUPATHE INC. (US) | 2013-02-05 | — | — | US | claimed |
| JP-2011524901-A | — | — | 2011-09-08 | — | — | JP | claimed |
| EP-2296597-A1 | POLYAMINE ENHANCED FORMULATIONS FOR TRIPTAN COMPOUND IONTOPHORESIS | Nupathe Inc. (US) | 2011-03-23 | — | — | EP | claimed |
| US-20090318847-A1 | Polyamine enhanced formulations for triptan compound iontophoresis | TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) | 2009-12-24 | — | — | US | claimed |
| WO-2009154648-A1 | POLYAMINE ENHANCED FORMULATIONS FOR TRIPTAN COMPOUND IONTOPHORESIS | NUPATHE INC. (US) | 2009-12-23 | — | — | WO | claimed |
| EP-2012871-A2 | TRANSDERMAL METHODS AND SYSTEMS FOR THE DELIVERY OF ANTI-MIGRAINE COMPOUNDS | Nupathe Inc. (US) | 2009-01-14 | — | — | EP | claimed |
| WO-2007120747-A2 | TRANSDERMAL METHODS AND SYSTEMS FOR THE DELIVERY OF ANTI-MIGRAINE COMPOUNDS | NUPATHE INC. (US) | 2007-10-25 | — | — | WO | claimed |
| US-20220387396-A1 | METHODS OF TREATING THE SYMPTOMS OF AUTISM SPECTRUM DISORDER | MAPLIGHT THERAPEUTICS, INC. | 2022-12-08 | — | — | US | disclosed |
| CN-114901270-A | Methods of treating symptoms of autism spectrum disorders | 地图之光治疗股份有限公司 | 2022-08-12 | — | — | CN | disclosed |
| WO-2021081376-A1 | METHODS OF TREATING THE SYMPTOMS OF AUTISM SPECTRUM DISORDER | MAPLIGHT THERAPEUTICS, INC. (US) | 2021-04-29 | — | — | WO | disclosed |
| CN-111743879-A | Compositions and methods for ophthalmic and/or other applications | 卡拉制药公司 | 2020-10-09 | — | — | CN | disclosed |
| CN-111743878-A | Compositions and methods for ophthalmic and/or other applications | 卡拉制药公司 | 2020-10-09 | — | — | CN | disclosed |
| WO-2009088385-A1 | RESIN-COMPLEX GRANULATION FOR WATER-SOLUBLE DRUGS AND ASSOCIATED METHODS | CAPRICORN PHARMA INC. (US) | 2009-07-16 | — | — | WO | disclosed |
| WO-2008140453-A1 | IONTOPHORETIC DEVICES FOR DRUG DELIVERY | VYTERIS, INC. (US) | 2008-11-20 | — | — | WO | disclosed |
| WO-2008039358-A2 | RESIN-COMPLEX GRANULATION FOR WATER-SOLUBLE DRUGS AND ASSOCIATED METHODS | CAPRICORN PHARMA INC. (US) | 2008-04-03 | — | — | WO | disclosed |
| US-20080081072-A1 | Resin-complex granulation for water-soluble drugs and associated methods | CAPRICORN PHARMA, INC. | 2008-04-03 | — | — | US | disclosed |