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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 7/20 | 0.56 |
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL10484519 | 0.84 | TSHR (0.62) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL28249321 | 0.82 | TSHR (0.95) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Benzene SCHEMBL28351738 | 0.82 | TSHR (0.85) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| SCHEMBL11313547 | 0.81 | TSHR (0.46) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Hydrochloric Acid SCHEMBL7930573 | 0.81 | MEN1 (0.58) | TSHRRAB9AMAPTSMN1; SMN2MEN1 | |
| Bromide SCHEMBL9167391 | 0.81 | TSHR (0.58) | TSHRRAB9APOLBALDH1A1NPC1 | |
| Hydrochloric Acid SCHEMBL9493443 | 0.80 | CA1 (0.54) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL9130155 | 0.80 | TSHR (0.91) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| SCHEMBL8378592 | 0.80 | TSHR (0.56) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| SCHEMBL8603978 | 0.80 | TSHR (0.56) | TSHRRAB9AMAPTL3MBTL1CASP3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1028227-C | Pharmacologically active 1,5-diarly-3-substituted-pyrazoles and method for synthesizing the same | ORTHO PHARMA CORP (US) | 1995-04-19 | — | — | CN | disclosed |
| EP-0248594-B1 | Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same | ORTHO PHARMA CORP (US) | 1993-11-24 | — | — | EP | disclosed |
| US-5164381-A | Cardiovascular, antiinflammatory | ORTHO PHARMACEUTICAL CORPORATION (US) | 1992-11-17 | — | — | US | disclosed |
| US-4826868-A | 1,5-Diaryl-3-substituted pyrazoles pharmaceutical compositions and use | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-05-02 | — | — | US | disclosed |
| EP-0248594-A2 | Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same | ORTHO PHARMACEUTICAL CORPORATION (US) | 1987-12-09 | — | — | EP | disclosed |
| CN-87103953-A | Pharmaceutically active 1, 5-diaryl-3-substituted pyrazoles and synthesis method thereof | — | 1987-12-09 | — | — | CN | disclosed |