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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TOP2A | P11388 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL242518 | 0.98 | KDM4E (0.53) | KDM4EALDH1A1TOP2ANPC1RAB9A | |
| SCHEMBL8166694 | 0.98 | KDM4E (0.53) | KDM4EALDH1A1TOP2ANPC1RAB9A | |
| SCHEMBL242519 | 0.98 | KDM4E (0.53) | KDM4EALDH1A1TOP2ANPC1RAB9A | |
| SCHEMBL8167553 | 0.97 | KDM4E (0.51) | KDM4EALDH1A1TOP2ANPC1RAB9A | |
| SCHEMBL5589427 | 0.90 | KDM4E (0.47) | KDM4EALDH1A1TOP2ANPC1RAB9A | |
| SCHEMBL16471834 | 0.90 | KDM4E (0.47) | KDM4EALDH1A1TOP2ANPC1RAB9A | |
| SCHEMBL5693530 | 0.89 | KDM4E (0.46) | KDM4EALDH1A1TOP2ANPC1RAB9A | |
| Hydrochloric Acid SCHEMBL8173542 | 0.86 | KDM4E (0.42) | KDM4EALDH1A1NPC1RAB9AAGTR1 | |
| Hydrochloric Acid SCHEMBL8168224 | 0.86 | KDM4E (0.42) | KDM4EALDH1A1NPC1RAB9AAGTR1 | |
| Hydrochloric Acid SCHEMBL1685885 | 0.86 | GABRA1 (0.39) | KDM4EKMT2ALMNATDP1GABRA1 |
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-1971577-A2 | PROCESS FOR THE PREPARATION OF UNSYMMETRIC BIS(IMINO) COMPOUNDS | Basell Polyolefine GmbH (DE) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007080081-A2 | PROCESS FOR THE PREPARATION OF UNSYMMETRIC BIS(IMINO) COMPOUNDS | BASELL POLYOLEFINE GMBH (DE) | 2007-07-19 | — | — | WO | disclosed |