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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 1.00 |
| ▸ | NPC1 | O15118 | 1/20 | 1.00 |
| ▸ | ATM | Q13315 | 1/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29404601 | 0.82 | NPC1 (0.69) | RAB9ANPC1ATMTDP1TSHR | |
| SCHEMBL16470281 | 0.82 | NPC1 (0.69) | RAB9ANPC1ATMTDP1TSHR | |
| Hydrochloric Acid SCHEMBL8068701 | 0.80 | NPC1 (0.67) | RAB9ANPC1ATMTDP1TSHR | |
| Hydrochloric Acid SCHEMBL6131224 | 0.79 | NPC1 (0.65) | RAB9ANPC1ATMTDP1TSHR | |
| Hydrochloric Acid SCHEMBL599994 | 0.79 | NPC1 (0.65) | RAB9ANPC1ATMTDP1TSHR | |
| Hydrochloric Acid SCHEMBL30343291 | 0.79 | NPC1 (0.65) | RAB9ANPC1ATMTDP1TSHR | |
| Hydrochloric Acid SCHEMBL31173710 | 0.79 | NPC1 (0.65) | RAB9ANPC1ATMTDP1TSHR | |
| SCHEMBL29618182 | 0.78 | RAB9A (0.64) | RAB9ANPC1ATMTDP1TSHR | |
| SCHEMBL13648647 | 0.78 | RAB9A (0.64) | RAB9ANPC1ATMTDP1TSHR | |
| Hydrochloric Acid SCHEMBL16650533 | 0.78 | ATM (0.64) | RAB9ANPC1ATMTDP1TSHR |
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-2020165031-A1 | SUBSTITUTED ISOQUINOLINE-PIPERIDINYLMETHANONE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-08-20 | — | — | WO | disclosed |