Almotriptan

Almotriptan

SCHEMBL3273179

CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HTR1BHTR1DHTR1F

The experimentally established mechanism targets of Almotriptan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D known ✓ P28221 4/20 0.65
HTR1B known ✓ P28222 4/20 0.65
HTR1F known ✓ P30939 1/20 0.65
HTR1A P08908 7/20 1.00
HTR2A P28223 4/20 1.00
HTR2B P41595 2/20 1.00
LMNA P02545 1/20 1.00
ADRA2B P18089 1/20 1.00
KCNH2 Q12809 1/20 1.00
HTR5A P47898 11/20 0.65
HTR7 P34969 2/20 0.65
HTR2C P28335 2/20 0.65
HTR1E P28566 1/20 0.65
HTR3A P46098 1/20 0.65
SLC47A1 Q96FL8 1/20 0.65
KMT2A Q03164 1/20 0.53
ADRA1A P35348 1/20 0.53
HTR6 P50406 1/20 0.53
MPO P05164 1/20 0.51
SLC6A4 P31645 1/20 0.51

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.

Compoundsimilaritytop predictedshared targets
Almotriptan SCHEMBL1957 1.00 HTR1A (1.00) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL29396422 1.00 HTR1A (1.00) HTR1AHTR2AHTR2BLMNAADRA2B
SCHEMBL1437 0.99 HTR1A (0.98) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL2166 0.99 HTR1A (0.98) HTR1AHTR2AHTR2BLMNAADRA2B
Hydrochloric Acid SCHEMBL2312 0.98 HTR1A (0.96) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL5042399 0.98 HTR1A (0.96) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL1774275 0.95 HTR1A (0.90) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL2761861 0.93 HTR1A (0.86) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL6444414 0.93 HTR1A (0.86) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL221132 0.92 HTR1A (0.85) HTR1AHTR2AHTR2BLMNAADRA2B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2490669-B1 TRIPTANS FOR THE TREATMENT OF PSORIASIS FORTUDERM LTD (IL) 2017-01-11 EP disclosed
US-20140155443-A1 COMPOSITIONS AND METHODS OF TREATMENT FOR PSORIASIS DASCALU AVI (IL) 2014-06-05 US disclosed
US-8680134-B2 Triptans for the treatment of psoriasis DASCALU AVI (IL) 2014-03-25 US disclosed
WO-2014024193-A1 COMPOSITIONS AND METHODS FOR RAPID TRANSMUCOSAL DELIVERY OF PHARMACEUTICAL INGREDIENTS PRODEL PHARMA LTD. (IL) 2014-02-13 WO disclosed
US-20120252863-A1 TRIPTANS FOR THE TREATMENT OF PSORIASIS DASCALU AVI (IL) 2012-10-04 US disclosed
US-20100086495-A1 COMPOSITIONS AND METHODS FOR ENHANCING TRANSMUCOSAL DELIVERY DERMA-YOUNG LTD. (IL) 2010-04-08 US disclosed
EP-2114384-A2 COMPOSITIONS AND METHODS FOR ENHANCING TRANSMUCOSAL DELIVERY Derma-Young Ltd. (IL) 2009-11-11 EP disclosed
WO-2008099397-A2 COMPOSITIONS AND METHODS FOR ENHANCING TRANSMUCOSAL DELIVERY DERMA-YOUNG LTD. (IL) 2008-08-21 WO disclosed