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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
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 SCHEMBL8163954 | 0.81 | PDK2 (0.36) | TP53PDK2LMNACYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL8155676 | 0.79 | PDK2 (0.36) | TP53PDK2LMNACYP1A2CYP2A6 | |
| Chloromethane SCHEMBL8157141 | 0.75 | PDK2 (0.38) | TP53PDK2LMNACYP1A2CYP2A6 | |
| Chloromethane SCHEMBL8161420 | 0.75 | PDK2 (0.38) | TP53PDK2CYP1A2CYP2A6KMT2A | |
| Chloromethane SCHEMBL8155667 | 0.75 | PDK2 (0.38) | TP53PDK2CYP1A2CYP2A6KMT2A | |
| Hydrochloric Acid SCHEMBL3381707 | 0.72 | GPR3 (0.44) | CYP1A2KMT2A | |
| SCHEMBL28023973 | 0.69 | HTR7 (0.35) | TP53PDK2LMNACYP1A2CYP2A6 | |
| Iodide SCHEMBL3385670 | 0.68 | GPR3 (0.44) | CYP1A2KMT2A | |
| Bromide SCHEMBL3386045 | 0.68 | GPR3 (0.44) | CYP1A2KMT2A | |
| Fluoride Ion SCHEMBL3385207 | 0.68 | GPR3 (0.44) | CYP1A2KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0716092-B1 | Organic transition metal compound and process for the preparation of polyolefin using same | TOSOH CORP (JP) | 2000-10-25 | — | — | EP | disclosed |
| US-5770666-A | METALLOCENE | TOSOH CORPORATION (JP) | 1998-06-23 | — | — | US | disclosed |
| EP-0716092-A1 | Organic transition metal compound and process for the preparation of polyolefin using same | TOSOH CORPORATION (JP) | 1996-06-12 | — | — | EP | disclosed |