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 | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | HTT | P42858 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.54 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CRHBP | P24387 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5827918 | 0.87 | HTT (0.49) | KMT2AHTTALDH1A1APOBEC3AAPOBEC3G | |
| SCHEMBL15848192 | 0.81 | ALDH1A1 (0.49) | KMT2AHTTALDH1A1L3MBTL1TDP1 | |
| Hydrochloric Acid SCHEMBL27872090 | 0.80 | ITGA4 (0.50) | KMT2AHTTALDH1A1HPGDTDP1 | |
| SCHEMBL4402148 | 0.78 | ITGA4 (0.51) | KMT2AHTTALDH1A1HPGDTDP1 | |
| Bromide SCHEMBL17203097 | 0.78 | MAPT (0.44) | KMT2AHTTALDH1A1TDP1MAPT | |
| SCHEMBL15846974 | 0.78 | HSD17B10 (0.49) | KMT2AALDH1A1MAPTMEN1CYP1A2 | |
| Bromide SCHEMBL980626 | 0.77 | ITGA4 (0.50) | KMT2AHTTALDH1A1HPGDTDP1 | |
| Bromide SCHEMBL5828152 | 0.77 | HSD17B10 (0.47) | KMT2AALDH1A1MAPTMEN1CYP1A2 | |
| Bromide SCHEMBL2468888 | 0.77 | ALDH1A1 (0.45) | KMT2AALDH1A1MAPTMEN1CYP1A2 | |
| SCHEMBL8964829 | 0.77 | TDP1 (0.62) | KMT2AHTTALDH1A1APOBEC3AAPOBEC3G |
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-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 |