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 SCHEMBL29450235 | 0.99 | HTR1A (1.00) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Sumatriptan SCHEMBL183393 | 0.99 | HTR1A (1.00) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Sumatriptan SCHEMBL1482 | 0.99 | HTR1A (1.00) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Sumatriptan SCHEMBL1421675 | 0.98 | HTR1A (0.98) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Sumatriptan SCHEMBL1503483 | 0.95 | HTR1A (0.93) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Sumatriptan SCHEMBL29657591 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080103134-A1 | Use of selected CGRP-antagonists in combination with other antimigraine drugs for the treatment of migraine | RUDOLF KLAUS | 2008-05-01 | — | — | US | disclosed |
| US-20060142273-A1 | Use of selected CGRP-antagonists in combination with other antimigraine drugs for the treatment of migraine | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-06-29 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080103134-A1 | Use of selected CGRP-antagonists in combination with other antimigraine drugs for the treatment of migraine | SCN3A, HTR3A, BDKRB2 | HTR1D 143/4885HTR1B 127/4885HTR1A 102/4885 |
| US-20060142273-A1 | Use of selected CGRP-antagonists in combination with other antimigraine drugs for the treatment of migraine | SCN3A, HTR3A, BDKRB2 | HTR1D 143/4885HTR1B 127/4885HTR1A 102/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.