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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3310909 | 0.97 | TSHR (0.40) | TSHRLMNATHRBALDH1A1TDP1 | |
| SCHEMBL3308158 | 0.97 | TSHR (0.40) | TSHRLMNATHRBALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL637380 | 0.93 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| SCHEMBL98416 | 0.89 | TSHR (0.46) | TSHRLMNATHRBALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL29576742 | 0.88 | TSHR (0.47) | TSHRLMNATHRBALDH1A1 | |
| Hydrochloric Acid SCHEMBL29576675 | 0.88 | TSHR (0.47) | TSHRLMNATHRBALDH1A1 | |
| SCHEMBL4231002 | 0.87 | TSHR (0.44) | TSHRLMNATHRBALDH1A1 | |
| SCHEMBL12762111 | 0.86 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| Bromide SCHEMBL636852 | 0.86 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| Water SCHEMBL5664000 | 0.86 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2231566-B1 | PROCESS FOR THE PURIFICATION OF CHLORINATED BUTADIENES | DU PONT (US) | 2017-03-29 | — | — | EP | disclosed |
| EP-2231567-B1 | PROCESS FOR PRODUCTION OF 2,3-DICHLOROBUTADIENE-1,3 | DU PONT (US) | 2013-10-23 | — | — | EP | disclosed |
| US-20110313216-A1 | PROCESS FOR PRODUCTION OF 2,3-DICHLOROBUTADIENE-1,3 | DUPONT PERFORMANCE ELASTOMERS LLC | 2011-12-22 | — | — | US | disclosed |
| US-8030531-B2 | Process for production of 2,3-dichlorobutadiene-1,3 | DUPONT PERFORMANCE ELASTOMERS LLC (US) | 2011-10-04 | — | — | US | disclosed |
| US-8026400-B2 | Process for production of 2,3-dichlorobutadiene-1,3 | DUPONT PERFORMANCE ELASTOMERS LLC (US) | 2011-09-27 | — | — | US | disclosed |
| EP-2231567-A2 | PROCESS FOR PRODUCTION OF 2,3-DICHLOROBUTADIENE-1,3 | DuPont Performance Elastomers L.L.C. (US) | 2010-09-29 | — | — | EP | disclosed |
| EP-2231566-A2 | PROCESS FOR PURIFICATION OF CHLORINATED ALKENES | DuPont Performance Elastomers L.L.C. (US) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009085837-A2 | PROCESS FOR PRODUCTION OF 2,3-DICHLOROBUTADIENE-1,3 | DUPONT PERFORMANCE ELASTOMERS L.L.C. (US) | 2009-07-09 | — | — | WO | disclosed |
| WO-2009085846-A2 | PROCESS FOR PURIFICATION OF CHLORINATED ALKENES | DUPONT PERFORMANCE ELASTOMERS L.L.C. (US) | 2009-07-09 | — | — | WO | disclosed |
| US-20090163746-A1 | Process for production of 2,3-dichlorobutadiene-1,3 | DENKA PERFORMANCE ELASTOMER LLC | 2009-06-25 | — | — | US | disclosed |
| US-20090163745-A1 | PROCESS FOR PRODUCTION OF 2,3-DICHLOROBUTADIENE-1,3 | DENKA PERFORMANCE ELASTOMER LLC | 2009-06-25 | — | — | US | disclosed |
| EP-0429967-B1 | Process for the liquid phase chlorination of 1,3-butadiene | DU PONT (US) | 1994-10-05 | — | — | EP | disclosed |
| US-5077443-A | In evaporatively coded reactor with solvent, catalyst and free radical inhibitor | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-12-31 | — | — | US | disclosed |
| EP-0429967-A1 | Process for the liquid phase chlorination of 1,3-butadiene | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-06-05 | — | — | EP | disclosed |