SCHEMBL27635366

SCHEMBL27635366

NCCc1cn(OP(=O)(O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
MTOR P42345 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HRH1 P35367 1/20 0.30

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
Water SCHEMBL28942412 0.98 CYP2C9 (0.45) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL29175698 0.97 TDP1 (0.46) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL28474358 0.90 CYP2C9 (0.46) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL27520542 0.88 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL28152483 0.87 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
Water SCHEMBL27962623 0.87 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL8772961 0.74 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL28344420 0.72 CYP2C9 (0.44) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL19692132 0.71 CYP2C9 (0.46) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL28240322 0.71 CYP2C9 (0.42) CYP2C9TSHRCYP2C19MTORHRH4

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113262268-A Traditional Chinese medicine composition for clearing lung and eliminating phlegm and application thereof in treating lung diseases 黑龙江珍宝岛药业股份有限公司 2021-08-17 CN disclosed
CN-109696503-A The detection method and its application of metabolin in a kind of plant leaf blade 中国农业科学院作物科学研究所 2019-04-30 CN disclosed
CN-105596929-A Preparing method for traditional Chinese medicine preparation for treating phlegm-heat excessive accumulation type chronic cough YANG FUJIN 2016-05-25 CN disclosed
CN-104644656-A Application of 20(R)-ginsenoside Rg3 in preparation of medicament for relieving or/and treating asthma and medicament FU LI 2015-05-27 CN disclosed
CN-104491161-A Preparation method of radix physochlainae capsule for relieving asthma NO 6 TRADITIONAL CHINESE MEDICINE FACTORY OF TIANJ 2015-04-08 CN disclosed
CN-104491158-A Preparation method of radix physochlainae granules for relieving asthma NO 6 TRADITIONAL CHINESE MEDICINE FACTORY OF TIANJ 2015-04-08 CN disclosed
CN-104491159-A Preparation method of asthma-relieving paste of physochlaina macrophylla NO 6 TRADITIONAL CHINESE MEDICINE FACTORY OF TIANJ 2015-04-08 CN disclosed
CN-104491160-A Preparation method of oral radix physochlainae solution NO 6 TRADITIONAL CHINESE MEDICINE FACTORY OF TIANJ 2015-04-08 CN disclosed
CN-104491162-A Preparation method of funneled physochlaina root asthma-relieving powder NO 6 TRADITIONAL CHINESE MEDICINE FACTORY OF TIANJ 2015-04-08 CN disclosed
CN-104398658-A Preparation method for asthma-relieving radix physochlainae dropping pills NO 6 TRADITIONAL CHINESE MEDICINE FACTORY OF TIANJ 2015-03-11 CN disclosed
CN-104398659-A Preparation method for asthma-relieving radix physochlainae watered pills NO 6 TRADITIONAL CHINESE MEDICINE FACTORY OF TIANJ 2015-03-11 CN disclosed
CN-104383109-A Preparation method of radix physochlainae granules NO 6 TRADITIONAL CHINESE MEDICINE FACTORY OF TIANJ 2015-03-04 CN disclosed
CN-104383108-A Preparation method of radix physochlainae oral solution with asthma relieving effect NO 6 TRADITIONAL CHINESE MEDICINE FACTORY OF TIANJ 2015-03-04 CN disclosed
CN-104383107-A Method for preparing physochlaina-macrophylla water-binder pill NO 6 TRADITIONAL CHINESE MEDICINE FACTORY OF TIANJ 2015-03-04 CN disclosed
CN-101564461-B Method for preparing Chinese medicine used for clearing heat, moistening lung, relieving cough, resolving phlegm, disinhibiting urine and freeing strangury SHAANXI DONGTAI PHARMACEUTICAL CO LTD 2011-04-20 CN disclosed
CN-101564461-A Method for preparing Chinese medicine used for clearing heat, moistening lung, relieving cough, resolving phlegm, disinhibiting urine and freeing strangury SHAANXI DONGTAI PHARMACEUTICAL (CN) 2009-10-28 CN disclosed
CN-100387221-C Chinese mugwort injection and its preparation method HAIFENG ZHANG (CN) 2008-05-14 CN disclosed
CN-1686355-A Chinese mugwort injection and its preparation method ZHANG HAIFENG (CN) 2005-10-26 CN disclosed