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 | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | APAF1 | O14727 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HK1 | P19367 | 1/20 | 0.30 |
| ▸ | GALK1 | P51570 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 SCHEMBL7733742 | 0.79 | GSK3A (0.33) | IDO1GSK3AGSK3BCDK5CDK5R1 | |
| SCHEMBL4515365 | 0.58 | IDO1 (0.54) | IDO1GSK3AGSK3BCDK5CDK5R1 | |
| SCHEMBL12912867 | 0.58 | IDO1 (0.50) | IDO1GSK3AGSK3BCDK5CDK5R1 | |
| SCHEMBL7690744 | 0.57 | ALDH1A1 (0.43) | IDO1GSK3AGSK3BCDK5CDK5R1 | |
| SCHEMBL554572 | 0.57 | IDO1 (0.35) | IDO1GSK3AGSK3BCDK5CDK5R1 | |
| SCHEMBL12912968 | 0.56 | MAPT (0.58) | IDO1GSK3AGSK3BCDK5CDK5R1 | |
| SCHEMBL14455165 | 0.55 | MAPK1 (0.44) | IDO1KDM4EMEN1APAF1ALDH1A1 | |
| SCHEMBL30565769 | 0.55 | — | — | |
| SCHEMBL12912969 | 0.54 | NPC1 (0.46) | IDO1GSK3AGSK3BCDK5CDK5R1 | |
| SCHEMBL31106539 | 0.54 | GSK3A (0.53) | GSK3AGSK3BCDK5CDK5R1FLT3 |
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-6376629-B2 | ORGANOMETALLIC COMPOUND | EQUISTAR CHEMICALS, LP | 2002-04-23 | — | — | US | disclosed |
| US-20010007848-A1 | Single-site catalysts for olefin polymerization | EQUISTAR CHEMICALS, L.P. | 2001-07-12 | — | — | US | disclosed |
| US-6232260-B1 | ORGANOMETALLIC COMPLEX COMPRISES A GROUP 3 TO 10 TRANSITION OR LANTHANIDE METAL, M, AND AT LEAST ONE INDENOINDOLYL LIGAND THAT IS .PI.-BONDED TO M. | EQUISTAR CHEMICALS, L.P. | 2001-05-15 | — | — | US | disclosed |
| WO-2001027125-A1 | SINGLE-SITE CATALYSTS FOR OLEFIN POLYMERIZATION | EQUISTAR CHEMICALS, L.P. (US) | 2001-04-19 | — | — | WO | disclosed |