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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4261726 | 0.97 | OPRM1 (0.62) | OPRM1HDAC1TACR1AKR1C1SLC18A3 | |
| Hydrochloric Acid SCHEMBL1308247 | 0.95 | OPRM1 (0.61) | OPRM1HDAC1TACR1AKR1C1SLC18A3 | |
| SCHEMBL27851038 | 0.86 | AKR1C1 (0.48) | OPRM1AKR1C1SLC18A3OPRD1OPRK1 | |
| SCHEMBL4325002 | 0.84 | OPRM1 (0.66) | OPRM1HDAC1TACR1AKR1C1SLC18A3 | |
| Hydrochloric Acid SCHEMBL1309302 | 0.83 | OPRM1 (0.64) | OPRM1HDAC1TACR1AKR1C1SLC18A3 | |
| SCHEMBL14610752 | 0.79 | OPRM1 (0.55) | OPRM1HDAC1TACR1AKR1C1OPRD1 | |
| SCHEMBL27836012 | 0.79 | OPRM1 (0.55) | OPRM1HDAC1TACR1AKR1C1OPRD1 | |
| SCHEMBL2200070 | 0.79 | AKR1C1 (0.42) | OPRM1AKR1C1SLC18A3OPRD1OPRK1 | |
| SCHEMBL4630029 | 0.78 | OPRM1 (0.57) | OPRM1HDAC1TACR1AKR1C1SLC18A3 | |
| SCHEMBL12894221 | 0.78 | OPRM1 (0.63) | OPRM1SLC18A3OPRD1OPRK1SLC22A1 |
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-7067525-B2 | Compounds useful as modulators of Melanocortin Receptors and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB CO. (US) | 2006-06-27 | — | — | US | disclosed |
| US-20040229882-A1 | Compounds useful as modulators of melanocortin receptors and pharmaceutical compositions comprising same | YU GUIXUE (US) | 2004-11-18 | — | — | US | disclosed |
| US-6713487-B2 | HETEROCYCLIC AMINE DERIVATIVES; FOR TREATING AN INFLAMMATORY OR IMMUNE DISEASE, A CARDIOVASCULAR DISEASE, OR A NEURODEGENERATIVE CONDITION | BRISTOL-MYERS SQUIBB CO. | 2004-03-30 | — | — | US | disclosed |
| US-20030096827-A1 | Compounds useful as modulators of melanocortin receptors and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY | 2003-05-22 | — | — | US | disclosed |
| US-20030069169-A1 | Co-administration of melanocortin receptor agonist and phosphodiesterase inhibitor for treatment of cyclic-AMP associated disorders | BRISTOL-MYERS SQUIBB COMPANY | 2003-04-10 | — | — | US | 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 (3 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-20030069169-A1 | Co-administration of melanocortin receptor agonist and phosphodiesterase inhibitor for treatment of cyclic-AMP associated disorders | MC4R, MC3R, MC1R | TACR1 147/4885OPRM1 301/4885HDAC1 1248/4885 |
| US-20040229882-A1 | Compounds useful as modulators of melanocortin receptors and pharmaceutical compositions comprising same | MC3R, MC2R, MC1R | TACR1 147/4885OPRM1 30/4885HDAC1 954/4885 |
| US-20030096827-A1 | Compounds useful as modulators of melanocortin receptors and pharmaceutical compositions comprising same | MC3R, MC2R, MC1R | TACR1 148/4885OPRM1 29/4885HDAC1 851/4885 |
“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.