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 | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 6/20 | 0.39 |
| ▸ | CNR2 | P34972 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL9241514 | 0.97 | CNR1 (0.39) | CNR1CNR2KDM4ENPC1ALDH1A1 | |
| SCHEMBL1758997 | 0.89 | HTR1B (0.40) | CNR1CNR2KDM4ENPC1ALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL112169 | 0.75 | KCNH2 (0.44) | CNR1CNR2GAACYP2C9TDP1 | |
| SCHEMBL700284 | 0.74 | CYP2A6 (0.43) | KDM4EALDH1A1LMNACYP1A2CYP2D6 | |
| Trifluoromethanesulfonic Acid SCHEMBL6564917 | 0.74 | KCNH2 (0.40) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL4624312 | 0.72 | KCNH2 (0.39) | CNR1CNR2GAACYP2C9TDP1 | |
| Decane SCHEMBL9931523 | 0.70 | CNR1 (0.51) | CNR1CNR2KDM4ENPC1ALDH1A1 | |
| Tetradecane SCHEMBL9931525 | 0.70 | CNR1 (0.51) | CNR1CNR2KDM4ENPC1ALDH1A1 | |
| Phenanthrene SCHEMBL27510892 | 0.69 | ALDH1A1 (0.57) | KDM4ENPC1ALDH1A1GAAHTT | |
| Phenanthrene SCHEMBL29016443 | 0.69 | ALDH1A1 (0.63) | KDM4ENPC1ALDH1A1GAAHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0396934-B1 | CAUSTIC-FREE SWEETENING OF SOUR HYDROCARBON STREAMS | UOP (US) | 1993-03-10 | — | — | EP | disclosed |
| US-4908122-A | Contacting hydrocarbon in the presence of an oxidizing agent with a catalytic composite to oxidize mercaptans to disulfides | UOP (US) | 1990-03-13 | — | — | US | disclosed |