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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8164295 | 0.79 | TAAR1 (0.41) | MAOAMAOBNISCHTAAR1KDM4E | |
| Hydrochloric Acid SCHEMBL250019 | 0.78 | — | — | |
| SCHEMBL9716887 | 0.76 | TAAR1 (0.39) | MAOAMAOBNISCHTAAR1KDM4E | |
| Bromide SCHEMBL7788045 | 0.75 | MAOA (0.38) | MAOAMAOBNISCHTAAR1KDM4E | |
| Hydrochloric Acid SCHEMBL7943641 | 0.75 | TAAR1 (0.39) | MAOAMAOBNISCHTAAR1KDM4E | |
| Bromide SCHEMBL7057666 | 0.74 | — | — | |
| Bromide SCHEMBL7788049 | 0.74 | MAOA (0.40) | MAOAMAOBNISCHTAAR1KDM4E | |
| Bromide SCHEMBL7788041 | 0.74 | MAOA (0.37) | MAOAMAOBNISCHTAAR1KDM4E | |
| Hydrochloric Acid SCHEMBL8161038 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL7551919 | 0.73 | CYP2C9 (0.35) | ALDH1A1L3MBTL1CYP2D6 |
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-5324800-A | Coordination catalysts for high temperature polymerization yields polyolefins having controlled physical properties | EXXON CHEMICAL PATENTS INC. (US) | 1994-06-28 | — | — | US | claimed |
| US-6262201-B1 | AS POLYMERIZATION CATALYST IN PRODUCING POLYOLEFINS | PHILLIPS PETROLEUM COMPANY | 2001-07-17 | — | — | US | disclosed |