Hydrochloric Acid

Hydrochloric Acid

SCHEMBL14937435

FC(F)(F)c1cccc(-[n+]2ccc(-c3cc[n+](-c4cccc(C(F)(F)F)c4)cc3)cc2)c1.[Cl-].[Cl-]

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. 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
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CES2 O00748 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KIF11 P52732 3/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ NOTUM Q6P988 2/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL10005293 0.98 TSHR (0.44) TSHRMAPK1CES2MGLLMAOB
SCHEMBL17996978 0.89 MEN1 (0.43) TSHRMAPK1CES2MGLLKIF11
Hydrochloric Acid SCHEMBL27498900 0.87 TSHR (0.44) TSHRMAPK1CES2MGLLTAAR1
Hydrochloric Acid SCHEMBL16563223 0.81 KIF11 (0.49) ALDH1A1KIF11MAPT
SCHEMBL19441759 0.80 RXRA (0.40) TSHRCES2ALDH1A1KIF11NOS3
SCHEMBL16563098 0.79 KIF11 (0.46) ALDH1A1KIF11MAPT
SCHEMBL29772530 0.77 KIF11 (0.45) ALDH1A1KIF11MAPT
SCHEMBL20358991 0.77 KIF11 (0.45) ALDH1A1KIF11MAPT
Hydrochloric Acid SCHEMBL14937603 0.76 ACHE (0.44) MAPK1CES2TAAR1
SCHEMBL19892477 0.74 KIF11 (0.48) TSHRCES2MGLLMAOBALDH1A1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594558-A1 COMPLEX COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING SAME KH Neochem Co., Ltd. (JP) 2013-05-22 — — EP disclosed
US-20130123494-A1 COMPLEX COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING SAME KH NEOCHEM CO., LTD. (JP) 2013-05-16 — — 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 (1 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130123494-A1 COMPLEX COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING SAME TRPA1, KCNH3, HCN3 TSHR 870/4885MAPK1 586/4885CES2 4180/4885

“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.

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