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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 13/20 | 0.63 |
| ▸ | NPC1 | O15118 | 12/20 | 0.63 |
| ▸ | RAB9A | P51151 | 12/20 | 0.63 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | PKM | P14618 | 2/20 | 0.55 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.52 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 10/20 | 0.51 |
| ▸ | MEN1 | O00255 | 8/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.51 |
| ▸ | SCD | O00767 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.49 |
| ▸ | RELA | Q04206 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3128174 | 0.97 | NPC1 (0.67) | SMN1; SMN2NPC1RAB9ADYRK1AALDH1A1 | |
| SCHEMBL8280120 | 0.84 | NPC1 (0.70) | SMN1; SMN2NPC1RAB9ADYRK1AALDH1A1 | |
| SCHEMBL31061590 | 0.78 | DYRK1A (1.00) | SMN1; SMN2NPC1RAB9ADYRK1AALDH1A1 | |
| SCHEMBL2895657 | 0.76 | SMN1; SMN2 (0.67) | SMN1; SMN2NPC1RAB9ADYRK1AALDH1A1 | |
| SCHEMBL2400142 | 0.75 | NPC1 (0.55) | SMN1; SMN2NPC1RAB9ADYRK1AALDH1A1 | |
| SCHEMBL95067 | 0.75 | NPC1 (0.55) | SMN1; SMN2NPC1RAB9ADYRK1AALDH1A1 | |
| SCHEMBL11850147 | 0.75 | DYRK1A (0.64) | SMN1; SMN2NPC1RAB9ADYRK1ATP53 | |
| SCHEMBL31276816 | 0.75 | NPC1 (0.55) | SMN1; SMN2NPC1RAB9ADYRK1AALDH1A1 | |
| SCHEMBL13390826 | 0.75 | ATAD2 (0.81) | SMN1; SMN2NPC1RAB9ADYRK1AALDH1A1 | |
| SCHEMBL4584874 | 0.73 | DYRK1A (0.65) | SMN1; SMN2NPC1RAB9ADYRK1AALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2141164-A1 | New 1,2,4-triazine derivatives and biological applications thereof | Mutabilis (FR) | 2010-01-06 | — | — | EP | disclosed |