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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.35 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CCL2 | P13500 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL186866 | 0.95 | HTR2A (0.41) | BRD4CCL2HTR2ASIGMAR1HTR6 | |
| SCHEMBL30122871 | 0.93 | HTR2A (0.40) | BRD4CCL2HTR2ASIGMAR1HTR6 | |
| Bromide SCHEMBL28346507 | 0.93 | HTR2A (0.40) | BRD4CCL2HTR2ASIGMAR1HTR6 | |
| Benzene SCHEMBL28389034 | 0.93 | SIGMAR1 (0.42) | BRD4CCL2HTR2ASIGMAR1HTR6 | |
| SCHEMBL6657234 | 0.93 | HTR2A (0.40) | BRD4CCL2HTR2ASIGMAR1HTR6 | |
| Butadiene SCHEMBL28112234 | 0.85 | BRD4 (0.36) | BRD4CCL2HTR2ASIGMAR1HTR6 | |
| Hydrochloric Acid SCHEMBL7639938 | 0.82 | SIGMAR1 (0.35) | BRD4CCL2HTR2ASIGMAR1HTR6 | |
| Indene SCHEMBL9250379 | 0.78 | CA1 (0.39) | BRD4CCL2HTR2ASIGMAR1HTR6 | |
| Pyrrole SCHEMBL8470212 | 0.77 | BRD4 (0.37) | BRD4CCL2HTR2ASIGMAR1HTR6 | |
| SCHEMBL29267349 | 0.77 | ACHE (0.34) | BRD4CCL2HTR2ASIGMAR1HTR6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003057701-A2 | PREPARATION OF CYCLOPENTADIENYL OR INDENYL TITANIUM TRIHALIDES | BOULDER SCIENTIFIC COMPANY (US) | 2003-07-17 | — | — | WO | disclosed |
| US-6531619-B1 | Reacting lithiated rings with chlorotrialkoxytitanium in tetrahydrofuran or ethyl ether solvent, reacting produced indene titanium trialkoxide with SiCl4; exchanging first solvent with a hydrocarbon medium in which LiCl in insoluble | BOULDER SCIENTIFIC COMPANY | 2003-03-11 | — | — | US | disclosed |