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 | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 19/20 | 0.68 |
| ▸ | HTR2B | P41595 | 15/20 | 0.68 |
| ▸ | HTR2A | P28223 | 15/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | GMNN | O75496 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | THPO | P40225 | 1/20 | 0.68 |
| ▸ | BLM | P54132 | 1/20 | 0.68 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.68 |
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 SCHEMBL7400575 | 0.89 | HTR2C (0.65) | HTR2CHTR2BHTR2ACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7364926 | 0.89 | HTR2C (0.71) | HTR2CHTR2BHTR2ACYP1A2CYP2D6 | |
| SCHEMBL8168881 | 0.88 | HTR2C (0.63) | HTR2CHTR2BHTR2ACYP1A2CYP2D6 | |
| SCHEMBL29766793 | 0.81 | HTR2C (1.00) | HTR2CHTR2BHTR2ACYP1A2CYP2D6 | |
| SCHEMBL7042732 | 0.81 | HTR2C (1.00) | HTR2CHTR2BHTR2ACYP1A2CYP2D6 | |
| SCHEMBL7044527 | 0.78 | HTR2C (0.82) | HTR2CHTR2BHTR2ACYP1A2CYP2D6 | |
| SCHEMBL7041608 | 0.76 | HTR2C (0.82) | HTR2CHTR2BHTR2ACYP1A2CYP2D6 | |
| SCHEMBL7082011 | 0.76 | HTR2C (0.67) | HTR2CHTR2BHTR2ACYP1A2CYP2D6 | |
| SCHEMBL7041275 | 0.74 | HTR2C (1.00) | HTR2CHTR2BHTR2ACYP1A2CYP2D6 | |
| SCHEMBL7044526 | 0.73 | HTR2C (1.00) | HTR2CHTR2BHTR2ACYP1A2CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0891348-A1 | INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST | SMITHKLINE BEECHAM PLC (GB) | 1999-01-20 | — | — | EP | claimed |
| WO-1997037989-A1 | INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST | SMITHKLINE BEECHAM PLC (GB) | 1997-10-16 | — | — | WO | claimed |
| US-6028085-A | Indole derivatives as 5-HT receptor antagonist | SMITHKLINE BEECHAM PLC (GB) | 2000-02-22 | — | — | US | disclosed |
| EP-0891348-A1 | INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST | SMITHKLINE BEECHAM PLC (GB) | 1999-01-20 | — | — | EP | disclosed |
| WO-1997037989-A1 | INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST | SMITHKLINE BEECHAM PLC (GB) | 1997-10-16 | — | — | WO | disclosed |