Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7716989

COc1ccc2c(c1)Cc1c-2cc(OC)c(OC)c1[Zr+2](C1=CC=CC1)=C(C)C.[Cl-].[Cl-]

nearest known ligand 0.38

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
ABCB1 P08183 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33

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 SCHEMBL7717523 0.89 CA1 (0.34) ABCB1ALDH1A1CA1CA2CA4
Hydrochloric Acid SCHEMBL7711378 0.88 CA1 (0.34) ABCB1ALDH1A1MAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7717508 0.77 CA1 (0.36) ABCB1ALDH1A1MAPTSMN1; SMN2CA1
Hydrochloric Acid SCHEMBL7711388 0.71 METAP1 (0.30) MAPTMETAP1
Hydrochloric Acid SCHEMBL7201279 0.71 METAP1 (0.42) ABCB1ALDH1A1MAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL16594010 0.70
Hydrochloric Acid SCHEMBL8854628 0.70 NPC1 (0.34) ALDH1A1MAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7915103 0.69 TDP2 (0.34)
Hydrochloric Acid SCHEMBL7717380 0.68
Hydrochloric Acid SCHEMBL536271 0.68

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
US-6372681-B1 METALLOCENE OF TRANSITION METAL AND; METAL OXIDE, SULFIDE, PHOSPHIDE, CARBIDE, NITRIDE, AND/OR SELENIDE; ORGANOALKALINE EARTH OR ZINC COMPOUND; AND ORGANOALUMINUM COMPOUND TOSOH CORPORATION (JP) 2002-04-16 US disclosed
EP-0942006-A2 Catalyst for olefin polymer production and process for olefin polymer production employing the catalyst TOSOH CORPORATION (JP) 1999-09-15 EP disclosed