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 | |
|---|---|---|---|---|
| ▸ | HPSE | Q9Y251 | 11/20 | 0.72 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 4/20 | 0.45 |
| ▸ | RECQL | P46063 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TIMP3 | P35625 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | PKM | P14618 | 4/20 | 0.41 |
| ▸ | P2RX1 | P51575 | 3/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.41 |
| ▸ | BRCA1 | P38398 | 2/20 | 0.41 |
| ▸ | P2RY11 | Q96G91 | 2/20 | 0.41 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.41 |
| ▸ | ENTPD3 | O75355 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
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 SCHEMBL20514949 | 0.91 | HPSE (0.61) | HPSESIRT2SIRT1RECQLKMT2A | |
| SCHEMBL20514938 | 0.86 | HPSE (0.91) | HPSESIRT2SIRT1RECQLKMT2A | |
| SCHEMBL20514947 | 0.86 | HPSE (0.75) | HPSESIRT2SIRT1RECQLKMT2A | |
| SCHEMBL20514932 | 0.85 | HPSE (0.84) | HPSESIRT2SIRT1RECQLKMT2A | |
| Hydrochloric Acid SCHEMBL20515018 | 0.85 | HPSE (0.83) | HPSESIRT2SIRT1RECQLKMT2A | |
| SCHEMBL20514941 | 0.84 | HPSE (0.81) | HPSESIRT2SIRT1RECQLKMT2A | |
| SCHEMBL20514930 | 0.84 | HPSE (0.80) | HPSESIRT2SIRT1RECQLKMT2A | |
| SCHEMBL20514931 | 0.84 | HPSE (0.56) | HPSESIRT2SIRT1RECQLKMT2A | |
| SCHEMBL20514967 | 0.82 | HPSE (0.78) | HPSESIRT2SIRT1RECQLKMT2A | |
| SCHEMBL20514936 | 0.81 | HPSE (0.77) | HPSESIRT2SIRT1RECQLKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3381897-A1 | DERIVATIVES OF THE DISODIUM 2,2'-{CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(1-METHYL-1H-PYRROLE-4,2-DIYL)CARBONYLIMINO]}DINAPHTHALENE-1,5-DISULFONATE SALT AND RELATED COMPOUNDS AS HEPARANASE INHIBITORS FOR THE TREATMENT OF CANCER | Leadiant Biosciences SA (CH) | 2018-10-03 | — | — | EP | disclosed |