Betahistine

Betahistine

SCHEMBL22129683

CCO.CNCCc1ccccn1.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HRH1HRH3

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

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 1/20 0.73
LMNA P02545 2/20 0.91
TDP1 Q9NUW8 1/20 0.91
ALDH1A1 P00352 2/20 0.71
TAAR1 Q96RJ0 1/20 0.71
ALOX15 P16050 1/20 0.71
GAA P10253 1/20 0.48
RAB9A P51151 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
PKM P14618 1/20 0.45
APP P05067 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NPC1 O15118 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43

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
Betahistine SCHEMBL194604 0.95 LMNA (1.00) LMNATDP1HRH3ALDH1A1TAAR1
Betahistine SCHEMBL30679317 0.95 LMNA (1.00) LMNATDP1HRH3ALDH1A1TAAR1
Betahistine SCHEMBL195108 0.95 LMNA (1.00) LMNATDP1HRH3ALDH1A1TAAR1
Betahistine SCHEMBL9844622 0.92 LMNA (0.94) LMNATDP1HRH3ALDH1A1TAAR1
Betahistine SCHEMBL20421884 0.92 LMNA (0.94) LMNATDP1HRH3ALDH1A1TAAR1
Betahistine SCHEMBL1437009 0.87 LMNA (0.83) LMNATDP1HRH3ALDH1A1TAAR1
Betahistine SCHEMBL125582 0.85 HRH3 (1.00) LMNATDP1HRH3ALDH1A1TAAR1
Betahistine SCHEMBL28346535 0.85 HRH3 (1.00) LMNATDP1HRH3ALDH1A1TAAR1
Betahistine SCHEMBL29354603 0.85 HRH3 (1.00) LMNATDP1HRH3ALDH1A1TAAR1
Betahistine SCHEMBL10770127 0.85 LMNA (0.79) LMNATDP1HRH3ALDH1A1TAAR1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021241049-A1 COSMETIC PREPARATAION 信越化学工業株式会社 2021-12-02 WO disclosed
WO-2021215084-A1 MICROEMULSION COMPOSITION AND COSMETIC CONTAINING SAME 信越化学工業株式会社 (JP) 2021-10-28 WO disclosed
WO-2021075182-A1 WATER-DISPERSED EMULSION COMPOSITION, METHOD FOR PRODUCING SAME, EMULSION ADDITION-CURED COMPOSITION, AND COSMETIC PREPARATION 信越化学工業株式会社 2021-04-22 WO disclosed
WO-2020129461-A1 MICROEMULSION COMPOSITION, CURED PRODUCT THEREOF, AND COSMETIC MATERIAL CONTAINING SAME 信越化学工業株式会社 2020-06-25 WO disclosed