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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.72 |
| ▸ | MAOB | P27338 | 9/20 | 0.68 |
| ▸ | MAOA | P21397 | 8/20 | 0.68 |
| ▸ | PRKCI | P41743 | 1/20 | 0.68 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29983572 | 0.96 | PBRM1 (0.78) | PBRM1MAOBMAOAPRKCIHSD17B1 | |
| SCHEMBL385554 | 0.96 | PBRM1 (0.78) | PBRM1MAOBMAOAPRKCIHSD17B1 | |
| SCHEMBL5145478 | 0.92 | PBRM1 (0.78) | PBRM1MAOBMAOAPRKCIHSD17B1 | |
| SCHEMBL30137886 | 0.84 | PBRM1 (1.00) | PBRM1MAOBMAOAPRKCIHSD17B1 | |
| SCHEMBL28880 | 0.84 | PBRM1 (1.00) | PBRM1MAOBMAOAPRKCIHSD17B1 | |
| SCHEMBL228128 | 0.81 | MAOA (1.00) | PBRM1MAOBMAOAPRKCIHSD17B1 | |
| SCHEMBL3825921 | 0.77 | MAOA (0.92) | PBRM1MAOBMAOAPRKCIHSD17B1 | |
| SCHEMBL355820 | 0.77 | MAOA (0.53) | PBRM1MAOBMAOAPRKCIHSD17B1 | |
| SCHEMBL29483386 | 0.77 | MAOA (0.53) | PBRM1MAOBMAOAPRKCIHSD17B1 | |
| SCHEMBL27323917 | 0.76 | MAOB (0.77) | PBRM1MAOBMAOAPRKCIHSD17B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005113527-A1 | TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS | PFIZER PRODUCTS INC. (US) | 2005-12-01 | — | — | WO | disclosed |