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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL8663626 | 0.97 | DRD2 (0.32) | DRD2ALDH1A1CYP3A4ALOX15 | |
| Hydrochloric Acid SCHEMBL8670461 | 0.95 | KDM4E (0.31) | DRD2ALDH1A1CYP3A4ALOX15 | |
| SCHEMBL8664597 | 0.82 | KDM4E (0.31) | DRD2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8670466 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL6651593 | 0.79 | KDM4E (0.33) | DRD2CYP3A4 | |
| SCHEMBL8664559 | 0.78 | — | — | |
| Ethyl Chloride SCHEMBL8668973 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6651586 | 0.73 | KDM4E (0.35) | DRD2CYP3A4 | |
| SCHEMBL8665289 | 0.72 | — | — | |
| SCHEMBL8149949 | 0.72 | HTR2A (0.37) | DRD2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5744666-A | Process for preparing an alkynyl fulvene group containing compound and said compound | PHILLIPS PETROLEUM COMPANY (US) | 1998-04-28 | — | — | US | disclosed |
| US-5728908-A | Process for preparing a bridged ligand and said bridged ligand | PHILLIPS PETROLEUM COMPANY (US) | 1998-03-17 | — | — | US | disclosed |
| US-5631203-A | Metallocene compounds and preparation thereof containing terminal alkynes | PHILLIPS PETROLEUM COMPANY (US) | 1997-05-20 | — | — | US | disclosed |