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 | |
|---|---|---|---|---|
| ▸ | GGPS1 | O95749 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | RAD52 | P43351 | 2/20 | 0.38 |
| ▸ | APAF1 | O14727 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.36 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
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 SCHEMBL9716279 | 0.89 | GGPS1 (0.35) | GGPS1LMNAALDH1A1RAD52APAF1 | |
| Hydrochloric Acid SCHEMBL10385533 | 0.85 | KDM4E (0.40) | GGPS1LMNAALDH1A1RAD52APAF1 | |
| SCHEMBL10385514 | 0.82 | HSP90AA1 (0.43) | GGPS1LMNAALDH1A1RAD52APAF1 | |
| Hydrochloric Acid SCHEMBL10385529 | 0.82 | HSP90AA1 (0.43) | GGPS1LMNAALDH1A1RAD52APAF1 | |
| SCHEMBL10385452 | 0.78 | MEN1 (0.54) | LMNAALDH1A1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL9720214 | 0.78 | MEN1 (0.54) | LMNAALDH1A1MAPTSMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL2177623 | 0.78 | HDAC1 (0.46) | GGPS1LMNAALDH1A1RAD52APAF1 | |
| Hydrochloric Acid SCHEMBL9720174 | 0.78 | MEN1 (0.36) | APAF1MAPTSMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10385523 | 0.77 | ACHE (0.48) | — | |
| SCHEMBL10386556 | 0.77 | HSP90AA1 (0.36) | LMNARAD52APAF1POLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5081245-A | Selective antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-01-14 | — | — | US | disclosed |
| EP-0356765-A2 | Carboxylic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-03-07 | — | — | EP | disclosed |