Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5006801

CC1=C(c2cccc3cccnc23)CC([Cr+2])=C1Cc1ccccc1.[Cl-].[Cl-]

nearest known ligand 0.45

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 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 1/20 0.36
P2RX7 Q99572 1/20 0.45
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
CCR1 P32246 4/20 0.38
CCR8 P51685 4/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CCR5 P51681 3/20 0.38
HTT P42858 2/20 0.38
MMP2 P08253 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
Hydrochloric Acid SCHEMBL5003132 0.86 PDE4A (0.40) P2RX7MAPTHSP90AA1MEN1KMT2A
Hydrochloric Acid SCHEMBL5003672 0.84 MAPK1 (0.38) P2RX7ALDH1A1CCR1CCR8LMNA
Hydrochloric Acid SCHEMBL4195070 0.80 TRPV1 (0.38) P2RX7PIM1PIM2CCR1CCR8
Hydrochloric Acid SCHEMBL820330 0.79 LMNA (0.40) P2RX7PIM1PIM2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL1072414 0.76 CCR1 (0.46) P2RX7PIM1PIM2ALDH1A1CCR1
Hydrochloric Acid SCHEMBL819634 0.75 CCR1 (0.40) P2RX7ALDH1A1HPGDCCR1CCR8
SCHEMBL3086250 0.75 KDM4E (0.47) P2RX7ALDH1A1CCR1CCR8LMNA
Hydrochloric Acid SCHEMBL5004316 0.74 PIM1 (0.43) P2RX7PIM1PIM2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL819935 0.71 CCR1 (0.37) P2RX7CCR1CCR8LMNAKDM4E
Hydrochloric Acid SCHEMBL3089532 0.70 CCR1 (0.39) P2RX7ALDH1A1HPGDCCR1CCR8

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-1824888-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2017-01-18 EP disclosed
US-20080269445-A1 Monocyclopentadienyl Complexes BASELL POLYOLEFINE GMBH (DE) 2008-10-30 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-20080269445-A1 Monocyclopentadienyl Complexes PCBP1, COASY, PORCN CHRM1 3194/4885P2RX7 4681/4885PIM1 3440/4885

“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.