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 2)
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 | |
|---|---|---|---|---|
| SCHEMBL2364504 | 0.96 | HTR2A (0.38) | HTR2AHTR6 | |
| SCHEMBL29393845 | 0.96 | HTR2A (0.38) | HTR2AHTR6 | |
| Fluoride SCHEMBL29462970 | 0.94 | HTR2A (0.36) | HTR2AHTR6 | |
| Fluoride SCHEMBL5067176 | 0.94 | HTR2A (0.36) | HTR2AHTR6 | |
| Hydrochloric Acid SCHEMBL1644829 | 0.94 | HTR2A (0.36) | HTR2AHTR6 | |
| Bromide SCHEMBL11875417 | 0.94 | HTR2A (0.36) | HTR2AHTR6 | |
| Hydrochloric Acid SCHEMBL8522504 | 0.94 | HTR2A (0.36) | HTR2AHTR6 | |
| Hydrochloric Acid SCHEMBL8522502 | 0.94 | HTR2A (0.36) | HTR2AHTR6 | |
| Fluoride SCHEMBL178212 | 0.94 | HTR2A (0.36) | HTR2AHTR6 | |
| Hydrochloric Acid SCHEMBL7825405 | 0.92 | HTR2A (0.35) | HTR2AHTR6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0795564-B1 | Process for hydrogenation of conjugated diene polymers and catalyst compositions suitable for use therein | SHELL INT RESEARCH (NL) | 2001-01-10 | — | — | EP | disclosed |
| US-5925717-A | SELECTIVE HYDROGENATION OF POLYMERS WITH TITANIUM CATALYSTS WITH INDENE COMPOUND LIGANDS | SHELL OIL COMPANY (US) | 1999-07-20 | — | — | US | disclosed |
| EP-0795564-A1 | Process for hydrogenation of conjugated diene polymers and catalyst compositions suitable for use therein | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1997-09-17 | — | — | EP | disclosed |