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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | LPL | P06858 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 2/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL150534 | 0.95 | TP53 (0.48) | TP53CA2TAAR1CYP2A6LPL | |
| SCHEMBL6677376 | 0.85 | TP53 (0.59) | TP53CA2TAAR1CYP2A6LPL | |
| SCHEMBL25812491 | 0.85 | IDO1 (0.42) | TP53CA2TAAR1CYP2A6LPL | |
| SCHEMBL5988446 | 0.85 | TP53 (0.59) | TP53CA2TAAR1CYP2A6LPL | |
| SCHEMBL12514351 | 0.83 | MEN1 (0.40) | TP53CA2TAAR1CYP2A6LPL | |
| Iodide SCHEMBL11347856 | 0.83 | TP53 (0.56) | TP53CA2TAAR1CYP2A6LPL | |
| SCHEMBL3731971 | 0.77 | CYP1A2 (0.59) | TP53TAAR1CYP2A6ALDH1A1L3MBTL1 | |
| SCHEMBL36295 | 0.76 | TP53 (0.67) | TP53CA2TAAR1CYP2A6LPL | |
| SCHEMBL20873234 | 0.75 | TP53 (0.52) | TP53CA2TAAR1CYP2A6LPL | |
| SCHEMBL11312850 | 0.74 | ALDH1A1 (0.44) | TP53CA2TAAR1CYP2A6LPL |
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-20070015871-A1 | Thermoplastic elastomer composition | JSR CORPORATION (JP) | 2007-01-18 | — | — | US | disclosed |
| US-20070009696-A1 | Surface treated tube for medical use | JSR CORPORATION (JP) | 2007-01-11 | — | — | US | disclosed |