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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.30 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6893962 | 0.97 | KDM4E (0.36) | KDM4EALDH1A1CYP2A6CYP1A2TSHR | |
| Hydrochloric Acid SCHEMBL820012 | 0.94 | KDM4E (0.38) | KDM4EALDH1A1CYP2A6CYP1A2TSHR | |
| Hydrochloric Acid SCHEMBL6892592 | 0.84 | HTR1A (0.32) | ALDH1A1CYP2A6MAPTKDM1AMTNR1A | |
| Hydrochloric Acid SCHEMBL6891551 | 0.82 | KDM4E (0.34) | KDM4E | |
| Hydrochloric Acid SCHEMBL6888702 | 0.81 | KDM4E (0.38) | KDM4EALDH1A1CYP2A6CYP1A2TSHR | |
| Hydrochloric Acid SCHEMBL2535806 | 0.81 | HTR1A (0.33) | KDM4EALDH1A1CYP2A6MAPTALOX12 | |
| Hydrochloric Acid SCHEMBL6891252 | 0.80 | KDM4E (0.39) | KDM4EALDH1A1MAPTHPGDGAA | |
| Hydrochloric Acid SCHEMBL6895051 | 0.80 | KDM4E (0.34) | KDM4ESLC6A4 | |
| Hydrochloric Acid SCHEMBL6892478 | 0.79 | KDM4E (0.36) | KDM4EKDM1APOLB | |
| Hydrochloric Acid SCHEMBL6891975 | 0.78 | HTR1A (0.35) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8044155-B2 | Coordination polymerization catalyst containing magnesium compound, titanium compound and organoaluminum compound | STICHTING DUTCH POLYMER INSTITUTE (NL) | 2011-10-25 | — | — | US | disclosed |
| EP-1716185-B1 | Titanocene-based catalyst system | STICHTING DUTCH POLYMER INST (NL) | 2009-10-21 | — | — | EP | disclosed |
| US-20080234452-A1 | TITANOCENE-BASED CATALYST SYSTEM | STICHTING DUTCH POLYMER INSTITUTE (NL) | 2008-09-25 | — | — | US | disclosed |
| US-20070179049-A1 | Titanocenen-based catalyst system | STICHTING DUTCH POLYMER INSTITUTE (NL) | 2007-08-02 | — | — | US | disclosed |
| EP-1564226-A1 | Titanocene-based catalyst system | Stichting Dutch Polymer Institute (NL) | 2005-08-17 | — | — | EP | disclosed |