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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 11/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10326023 | 0.98 | CHKA (0.61) | CHKAALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| Bromide SCHEMBL8890844 | 0.95 | CHKA (0.64) | CHKAALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL13934027 | 0.89 | CHKA (0.55) | CHKAALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10669507 | 0.88 | ALDH1A1 (0.56) | CHKAALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL1250828 | 0.86 | ALDH1A1 (0.67) | CHKAALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL5300960 | 0.85 | CHKA (0.56) | CHKAALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL26522365 | 0.85 | TDP1 (0.64) | CHKAALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5155076 | 0.84 | ALDH1A1 (0.61) | CHKAALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| Benzyl Viologen SCHEMBL1930045 | 0.84 | ALDH1A1 (0.78) | CHKAALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL636283 | 0.83 | LMNA (0.63) | CHKAALDH1A1KDM4ERAB9ASMN1; SMN2 |
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-5554752-A | SPIRO FUSED PIPERIDINES CAPABLE OF BINDING TO A VESAMICOL RECEPTOR AND HAVING ANTICHOLINERGIC PROPERTIES | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1996-09-10 | — | — | US | disclosed |
| US-5457207-A | Anticholinergic agents | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1995-10-10 | — | — | US | disclosed |
| WO-1995009631-A1 | SPIROVESAMICOLS | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1995-04-13 | — | — | WO | disclosed |