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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 6/20 | 0.44 |
| ▸ | TUBB | P07437 | 6/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 6/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 6/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 6/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 6/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 6/20 | 0.44 |
| ▸ | TUBB2A | Q13885 | 6/20 | 0.44 |
| ▸ | TUBB8 | Q3ZCM7 | 6/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2008134 | 0.75 | ACHE (0.49) | KMT2ARAB9A | |
| Hydrochloric Acid SCHEMBL637319 | 0.71 | RAB9A (0.52) | GAAMEN1LMNAKMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL29754142 | 0.71 | RAB9A (0.52) | GAAMEN1LMNAKMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL2005677 | 0.71 | NPC1 (0.44) | LMNAKDM4ERAB9A | |
| Hydrochloric Acid SCHEMBL3570031 | 0.71 | TSHR (0.69) | CYP3A4TSHRALOX15CYP1A2NFKB1 | |
| SCHEMBL16079011 | 0.70 | RAB9A (0.43) | LMNAKMT2AKDM4ERAB9A | |
| SCHEMBL69858 | 0.69 | TUBB4A (0.79) | CYP3A4TSHRALOX15CYP1A2NFKB1 | |
| SCHEMBL2469671 | 0.69 | RAB9A (0.53) | GAAMEN1LMNAKMT2AKDM4E | |
| SCHEMBL29519716 | 0.69 | RAB9A (0.53) | GAAMEN1LMNAKMT2AKDM4E | |
| SCHEMBL31527836 | 0.69 | TUBB1 (0.68) | CYP3A4TSHRALOX15CYP1A2NFKB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346863-A2 | N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS | Elan Pharmaceuticals Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010028213-A2 | N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS | ELAN PHARMACEUTICALS, INC. (US) | 2010-03-11 | — | — | WO | disclosed |