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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.30 |
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 SCHEMBL5396893 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL5387460 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL5607408 | 0.84 | KIF11 (0.33) | BRD4 | |
| Hydrochloric Acid SCHEMBL5384071 | 0.83 | — | — | |
| Fluoride Ion SCHEMBL5397756 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL5380241 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL5391434 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL27384615 | 0.82 | PDCD1 (0.35) | PDCD1CD274CHRNB2CHRNA4BRD4 | |
| Fluoride Ion SCHEMBL5392326 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL5388092 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE38683-E1 | Preparation of titanocenes | BOULDER SCIENTIFIC COMPANY (US) | 2005-01-04 | — | — | US | disclosed |
| US-RE38683-E1 | Preparation of titanocenes | BOULDER SCIENTIFIC COMPANY (US) | 2005-01-04 | — | — | US | disclosed |
| EP-0883623-B1 | PREPARATION OF CHIRAL TITANOCENES | BOULDER SCIENT CO (US) | 2003-03-05 | — | — | EP | disclosed |
| US-5847176-A | Preparation of chiral titanocenes | BOULDER SCIENTIFIC COMPANY (US) | 1998-12-08 | — | — | US | disclosed |