Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8468856

COc1ccc(C2CC3C=CC=CC3C2[Zr+2]C2C(c3ccc(OC)cc3)CC3C=CC=CC32)cc1.[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
SLC6A3 known ✓ Q01959 4/20 0.34
SLC6A2 known ✓ P23975 3/20 0.34
KDM1A O60341 4/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
HTR2C P28335 1/20 0.40
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37

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 SCHEMBL8467719 0.84 HTR2C (0.46) KDM1AMAOAMAOBHTR2CNPC1
SCHEMBL8469474 0.70 KDM1A (0.48) KDM1AMAOAMAOBHTR2CTUBB4A
SCHEMBL12875739 0.69 KDM1A (0.67) KDM1AMAOAMAOBHTR2CTUBB4A
SCHEMBL31450919 0.69 KDM1A (0.67) KDM1AMAOAMAOBHTR2CTUBB4A
SCHEMBL16155721 0.69 KDM1A (0.67) KDM1AMAOAMAOBHTR2CTUBB4A
SCHEMBL11064728 0.68 KDM1A (0.72) KDM1AMAOAMAOBHTR2CTUBB4A
SCHEMBL11064726 0.68 KDM1A (0.72) KDM1AMAOAMAOBHTR2CTUBB4A
Ammonia Solution, Strong SCHEMBL265654 0.67 KDM1A (0.64) KDM1AMAOAMAOBHTR2CTUBB4A
Hydrochloric Acid SCHEMBL2355856 0.67
SCHEMBL3453665 0.64 KDM1A (0.55) KDM1AMAOAMAOBHTR2CTUBB4A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819705-A1 Olefin polymerization PHILLIPS PETROLEUM COMPANY (US) 1998-01-21 EP claimed
US-5705579-A CATALYTIC OLEFIN POLYMERIZATION WITH BIS/2-P-METHOXYPHENYL/ TETRAHYDROINDENYL/ ZIRCONIUM DICHLORIDE AND ALKYLALUMINOXANE PHILLIPS PETROLEUM COMPANY (US) 1998-01-06 US claimed
JP-10067815-A None JP disclosed
EP-0819705-B1 Olefin polymerization PHILLIPS PETROLEUM CO (US) 1999-09-08 EP disclosed
JP-H1067815-A OLEFIN POLYMERIZATION CATALYST PHILLIPS PETROLEUM CO 1998-03-10 JP disclosed
EP-0819705-A1 Olefin polymerization PHILLIPS PETROLEUM COMPANY (US) 1998-01-21 EP disclosed
US-5705579-A CATALYTIC OLEFIN POLYMERIZATION WITH BIS/2-P-METHOXYPHENYL/ TETRAHYDROINDENYL/ ZIRCONIUM DICHLORIDE AND ALKYLALUMINOXANE PHILLIPS PETROLEUM COMPANY (US) 1998-01-06 US disclosed