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 | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | UBE2N | P61088 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL410269 | 0.97 | KDM4E (0.51) | MAOAMAOBKDM4EALDH1A1MAPK1 | |
| SCHEMBL29874549 | 0.97 | KDM4E (0.51) | MAOAMAOBKDM4EALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL1001446 | 0.96 | KDM4E (0.50) | MAOAMAOBKDM4EALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL30428272 | 0.96 | KDM4E (0.50) | MAOAMAOBKDM4EALDH1A1MAPK1 | |
| SCHEMBL3359304 | 0.86 | MAOA (0.49) | MAOAMAOBKDM4EALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL4185851 | 0.84 | MAOA (0.48) | MAOAMAOBKDM4EALDH1A1MAPK1 | |
| SCHEMBL11435078 | 0.84 | L3MBTL1 (0.57) | MAOAMAOBKDM4EALDH1A1MAPK1 | |
| Amotosalen SCHEMBL15229366 | 0.83 | MAOA (0.42) | MAOAMAOBKDM4EALDH1A1MAPK1 | |
| SCHEMBL8875490 | 0.83 | MAOA (0.50) | MAOAMAOBKDM4EALDH1A1MAPK1 | |
| SCHEMBL13635035 | 0.83 | MAOA (0.47) | MAOAMAOBKDM4EALDH1A1MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150291936-A1 | PSORALEN-INACTIVATED DENGUE VIRUS VACCINE AND METHOD OF PREPARATION | THE UNITED STATES OF AMERICAN AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2015-10-15 | — | — | US | disclosed |
| US-9005633-B2 | Psoralen-inactivated viral vaccine and method of preparation | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY. (US) | 2015-04-14 | — | — | US | disclosed |
| US-20110014233-A1 | PSORALEN-INACTIVATED VIRAL VACCINE AND METHOD OF PREPARATION | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2011-01-20 | — | — | US | disclosed |