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 | |
|---|---|---|---|---|
| ▸ | NPM1 | P06748 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | RPA1 | P27694 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12687660 | 0.99 | NPM1 (0.37) | NPM1ALKNPC1RAB9AALDH1A1 | |
| SCHEMBL12465669 | 0.85 | NPM1 (0.35) | NPM1ALKNPC1RAB9AALDH1A1 | |
| SCHEMBL12465668 | 0.85 | NPM1 (0.35) | NPM1ALKNPC1RAB9AALDH1A1 | |
| SCHEMBL9959559 | 0.84 | KMT2A (0.40) | NPM1ALKNPC1RAB9AALDH1A1 | |
| SCHEMBL12465648 | 0.82 | NPM1 (0.37) | NPM1ALKNPC1RAB9AALDH1A1 | |
| SCHEMBL12465649 | 0.82 | NPM1 (0.37) | NPM1ALKNPC1RAB9AALDH1A1 | |
| SCHEMBL9959511 | 0.81 | KMT2A (0.43) | NPM1ALKNPC1RAB9AALDH1A1 | |
| SCHEMBL9959512 | 0.81 | KMT2A (0.43) | NPM1ALKNPC1RAB9AALDH1A1 | |
| SCHEMBL12465680 | 0.81 | NPM1 (0.36) | NPM1ALKNPC1RAB9AALDH1A1 | |
| SCHEMBL9953203 | 0.75 | ADORA1 (0.46) | NPM1ALKNPC1RAB9AALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9493456-B2 | Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators | UNIVERSITE DE MONTREAL (CA) | 2016-11-15 | — | — | US | disclosed |
| US-20150197520-A1 | PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS | Université de Montréal | 2015-07-16 | — | — | US | disclosed |
| US-9018395-B2 | Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators | Université de Montréal (CA) | 2015-04-28 | — | — | US | disclosed |
| US-20140057894-A1 | PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS | UNIVERSITE DE MONTREAL (CA) | 2014-02-27 | — | — | US | disclosed |
| WO-2012100342-A1 | PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS | Université de Montréal (CA) | 2012-08-02 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150197520-A1 | PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS | MC4R, MC5R, MC1R | NPM1 3336/4885ALK 1638/4885NPC1 818/4885 |
| US-20140057894-A1 | PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS | MC4R, MC5R, MC1R | NPM1 3409/4885ALK 1970/4885NPC1 800/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.