Sugi Predict

Sugi Predict / Compounds / Hydrochloric Acid

Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1235784

CCCCC1C=C(C(C)(C)C)C=C1[Zr+2](=C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)C1c2cc(C(C)(C)C)c(C(C)(C)C)cc2-c2cc(C(C)(C)C)c(C(C)(C)C)cc21.[Cl-].[Cl-]

nearest known ligand 0.34

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 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ NOD2 Q9HC29 2/20 0.31
▸ NOD1 Q9Y239 2/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ HTT P42858 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
Hydrochloric Acid SCHEMBL1235862 0.95 HDAC3 (0.32) HDAC3HDAC1HDAC2ALDH1A1POLB
Hydrochloric Acid SCHEMBL1236531 0.95 TAS1R3 (0.33) HDAC3HDAC1HDAC2ALDH1A1POLB
Hydrochloric Acid SCHEMBL1237014 0.92 HDAC3 (0.33) HDAC3HDAC1HDAC2ALDH1A1POLB
Hydrochloric Acid SCHEMBL1236875 0.91 HDAC3 (0.34) HDAC3HDAC1HDAC2ALDH1A1POLB
Hydrochloric Acid SCHEMBL1234987 0.91 CYP1A2 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL1235609 0.91 ALDH1A1 (0.32) HDAC3HDAC1HDAC2ALDH1A1POLB
Hydrochloric Acid SCHEMBL1236410 0.91 HDAC3 (0.33) HDAC3HDAC1HDAC2ALDH1A1POLB
Hydrochloric Acid SCHEMBL1236339 0.90 NOD2 (0.34) HDAC3HDAC1HDAC2ALDH1A1POLB
Hydrochloric Acid SCHEMBL1237140 0.90 HDAC3 (0.33) HDAC3HDAC1HDAC2ALDH1A1POLB
Hydrochloric Acid SCHEMBL3278452 0.90 TAS1R3 (0.32) ALDH1A1POLBTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802779-B2 Propylene-based polymer composition, use thereof, and method for producing thermoplastic polymer composition MITSUI CHEMICALS, INC. (JP) 2014-08-12 — — US disclosed
US-7879960-B2 methyl)(phenyl)methylene(3-tert-butyl-5-ethylcyclopentadienyl)(3,6-di-tert-butylfluorenyl)zirconium dichloride a metallocene], methylalumoxane, triisobutylaluminum containing catalyst system for propylene homo or copolymerization MITSUI CHEMICALS, INC. (JP) 2011-02-01 — — US disclosed
US-20080097055-A1 Process for Producing Propylene Polymer MITSUI CHEMICALS, INC. (JP) 2008-04-24 — — US disclosed
US-20080085977-A1 Propylene-based polymer composition, use thereof, and method for producing thermpolastic polymer composition MITSUI CHEMICALS, INC. 2008-04-10 — — US disclosed
EP-1803742-A1 PROCESS FOR PRODUCING PROPYLENE POLYMER Mitsui Chemicals, Inc. (JP) 2007-07-04 — — EP disclosed