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 | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 16/20 | 0.98 |
| ▸ | FLT3 | P36888 | 9/20 | 0.98 |
| ▸ | BRD4 | O60885 | 2/20 | 0.71 |
| ▸ | GSK3B | P49841 | 6/20 | 0.69 |
| ▸ | FLT4 | P35916 | 6/20 | 0.67 |
| ▸ | TEK | Q02763 | 6/20 | 0.67 |
| ▸ | IGF1R | P08069 | 5/20 | 0.67 |
| ▸ | PDGFRB | P09619 | 5/20 | 0.67 |
| ▸ | KIT | P10721 | 4/20 | 0.67 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.67 |
| ▸ | FLT1 | P17948 | 4/20 | 0.67 |
| ▸ | EGFR | P00533 | 4/20 | 0.67 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.67 |
| ▸ | PLK4 | O00444 | 3/20 | 0.67 |
| ▸ | AURKA | O14965 | 3/20 | 0.67 |
| ▸ | SRC | P12931 | 3/20 | 0.67 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.67 |
| ▸ | NUAK1 | O60285 | 2/20 | 0.67 |
| ▸ | INSR | P06213 | 2/20 | 0.67 |
| ▸ | CDK4 | P11802 | 2/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL1155501 | 0.99 | KDR (1.00) | KDRFLT3BRD4GSK3BFLT4 | |
| Hydrochloric Acid SCHEMBL5571286 | 0.97 | KDR (0.96) | KDRFLT3BRD4GSK3BFLT4 | |
| SCHEMBL1666739 | 0.84 | BRD4 (1.00) | KDRFLT3BRD4GSK3BKIT | |
| SCHEMBL30663475 | 0.84 | BRD4 (1.00) | KDRFLT3BRD4GSK3BKIT | |
| SCHEMBL1998578 | 0.81 | KDR (1.00) | KDRFLT3BRD4GSK3BFLT4 | |
| SCHEMBL16705131 | 0.81 | FLT3 (0.67) | KDRFLT3GSK3BCDK4CCND1 | |
| Maleimide SCHEMBL1155440 | 0.81 | KDR (1.00) | KDRFLT3GSK3BFLT4TEK | |
| SCHEMBL1155968 | 0.79 | KDR (1.00) | KDRFLT3BRD4GSK3BFLT4 | |
| SCHEMBL1155524 | 0.79 | KDR (1.00) | KDRFLT3GSK3BFLT4TEK | |
| SCHEMBL19216935 | 0.74 | KDR (0.60) | KDRFLT3BRD4GSK3BCDK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1819697-A1 | 3-(INDOLYL)-4-ARYLMALEIMIDE DERIVATIVES AND THEIR USE AS ANGIOGENESIS INHIBITORS | Johannes Gutenberg-Universität Mainz (DE) | 2007-08-22 | — | — | EP | disclosed |
| WO-2006061212-A1 | 3-(INDOLYL)-4-ARYLMALEIMIDE DERIVATIVES AND THEIR USE AS ANGIOGENESIS INHIBITORS | Johannes Gutenberg-Universität Mainz (DE) | 2006-06-15 | — | — | WO | disclosed |