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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | LPL | P06858 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL19981082 | 0.77 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL3898053 | 0.69 | ALDH1A1 (0.42) | ALDH1A1LPLLIPGPOLB | |
| Hydrochloric Acid SCHEMBL9066145 | 0.68 | OPRM1 (0.31) | — | |
| SCHEMBL30924492 | 0.68 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL3992253 | 0.67 | ALDH1A1 (0.31) | ALDH1A1 | |
| Biphenyl SCHEMBL17844626 | 0.63 | ALDH1A1 (0.82) | ALDH1A1NOTUM | |
| SCHEMBL25347383 | 0.62 | ALDH1A1 (0.35) | ALDH1A1LPLLIPG | |
| SCHEMBL21233511 | 0.61 | KDM1A (0.31) | — | |
| Hydrochloric Acid SCHEMBL968769 | 0.61 | — | — | |
| Biphenyl SCHEMBL29935769 | 0.59 | ALDH1A1 (0.90) | ALDH1A1NOTUM |
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-20020077433-A1 | Catalyst system for the polymerization of dienes | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-20 | — | — | US | disclosed |
| US-6300450-B1 | Conjugated diene compound polymerization catalyst process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | UBE INDUSTRIES, LTD. (JP) | 2001-10-09 | — | — | US | disclosed |
| EP-0919574-A1 | Polymerization catalyst, process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | Ube Industries, Ltd. (JP) | 1999-06-02 | — | — | EP | disclosed |