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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CHKA | P35790 | 9/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5304667 | 0.98 | TP53 (0.64) | ALDH1A1KDM4ERAB9ATP53CHKA | |
| Bromide SCHEMBL11693463 | 0.96 | CHKA (0.63) | ALDH1A1KDM4ERAB9ATP53CHKA | |
| Hydrochloric Acid SCHEMBL10669507 | 0.86 | ALDH1A1 (0.56) | ALDH1A1KDM4ERAB9ACHKASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8984034 | 0.84 | CHKA (0.59) | ALDH1A1KDM4ERAB9ACHKASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL1250828 | 0.84 | ALDH1A1 (0.67) | ALDH1A1KDM4ERAB9ACHKASMN1; SMN2 | |
| SCHEMBL5300960 | 0.83 | CHKA (0.56) | ALDH1A1KDM4ERAB9ACHKASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3278043 | 0.83 | ALDH1A1 (0.79) | ALDH1A1KDM4ERAB9ACHKASMN1; SMN2 | |
| Benzyl Viologen SCHEMBL1930045 | 0.82 | ALDH1A1 (0.78) | ALDH1A1KDM4ERAB9ACHKASMN1; SMN2 | |
| SCHEMBL10326023 | 0.82 | CHKA (0.61) | ALDH1A1KDM4ERAB9ACHKASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2463394 | 0.82 | ALDH1A1 (0.71) | ALDH1A1KDM4ERAB9ACHKASMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1742939-A2 | NOVEL ALKYNE COMPOUNDS EXHIBITING AN MCH ANTAGONISTIC EFFECT AND DRUGS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-17 | — | — | EP | disclosed |
| EP-1740572-A1 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-10 | — | — | EP | disclosed |
| US-20050267120-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-12-01 | — | — | US | disclosed |
| WO-2005103031-A1 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |
| US-20050239826-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-27 | — | — | US | disclosed |
| WO-2005100285-A2 | NOVEL ALKYNE COMPOUNDS EXHIBITING AN MCH ANTAGONISTIC EFFECT AND DRUGS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-27 | — | — | WO | disclosed |
| US-5240935-A | Central nervous system disorders | STERLING WINTHROP INC. (US) | 1993-08-31 | — | — | US | disclosed |
| US-4734460-A | STORAGE STABILITY | NIPPON MEKTRON LIMITED, A CORP. OF JAPAN | 1988-03-29 | — | — | 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 (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-20050239826-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | MCHR1, MCHR2, GPR119 | ALDH1A1 1855/4885KDM4E 1398/4885RAB9A 3535/4885 |
| US-20050267120-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | MCHR1, GPR119, MCHR2 | ALDH1A1 3033/4885KDM4E 1952/4885RAB9A 3392/4885 |
“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.