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 | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8732534 | 0.96 | HTR2A (0.38) | HTR2AHTR6RETCYP2D6 | |
| SCHEMBL7825802 | 0.94 | HTR2A (0.36) | HTR2AHTR6RETCYP2D6 | |
| Lithium SCHEMBL7825806 | 0.94 | HTR2A (0.36) | HTR2AHTR6RETCYP2D6 | |
| SCHEMBL23100802 | 0.82 | HTR2A (0.36) | HTR2AHTR6RETCYP2D6 | |
| SCHEMBL15323334 | 0.80 | HTR2A (0.35) | HTR2AHTR6RETCYP2D6 | |
| SCHEMBL8380915 | 0.79 | HTR2A (0.38) | HTR2AHTR6RETCYP2D6 | |
| SCHEMBL25218430 | 0.77 | HTR2A (0.39) | HTR2AHTR6RETCYP2D6 | |
| SCHEMBL8380997 | 0.75 | HTR2A (0.38) | HTR2AHTR6RETCYP2D6 | |
| SCHEMBL9309445 | 0.75 | HTR2A (0.38) | HTR2AHTR6RETCYP2D6 | |
| SCHEMBL8383845 | 0.75 | HTR2A (0.38) | HTR2AHTR6RETCYP2D6 |
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 |