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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.46 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3607673 | 0.96 | L3MBTL1 (0.47) | L3MBTL1ATMIDO1TAAR1MEN1 | |
| Hydrochloric Acid SCHEMBL8703957 | 0.83 | ABCB1 (0.36) | L3MBTL1ATMMAPTTRAP1ABCB1 | |
| Bromide SCHEMBL1149819 | 0.83 | ABCB1 (0.48) | L3MBTL1ATMMEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL9063521 | 0.82 | TRAP1 (0.51) | MEN1KMT2AHTTALDH1A1TRAP1 | |
| Hydrochloric Acid SCHEMBL7874554 | 0.82 | L3MBTL1 (0.50) | L3MBTL1ATMMEN1KMT2AALDH1A1 | |
| Bromide SCHEMBL5828497 | 0.82 | TRAP1 (0.39) | L3MBTL1ATMIDO1TAAR1MEN1 | |
| Hydrochloric Acid SCHEMBL8680191 | 0.80 | PTGES2 (0.42) | IDO1MAPTTRAP1SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL4598508 | 0.80 | LMNA (0.46) | TAAR1MEN1KMT2AALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL9292231 | 0.80 | HIF1A (0.55) | TAAR1KMT2AALDH1A1CYP2D6SLC6A2 | |
| Water SCHEMBL4390658 | 0.79 | L3MBTL1 (0.50) | L3MBTL1ATMMEN1KMT2AALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7094798-B1 | Inhibitors of checkpoint kinases (Wee1 and Chk1) | PFIZER INC (US) | 2006-08-22 | — | — | US | disclosed |
| EP-1501831-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003091255-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2003-11-06 | — | — | WO | disclosed |
| US-4316905-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1982-02-23 | — | — | US | disclosed |
| US-3947520-A | Compounds and process for preparing the same | THE UPJOHN COMPANY (US) | 1976-03-30 | — | — | US | disclosed |