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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRAP1 | Q12931 | 2/20 | 0.48 |
| ▸ | F2 | P00734 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | NMT1 | P30419 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10457544 | 0.97 | TRAP1 (0.48) | TRAP1F2MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11423500 | 0.93 | TRAP1 (0.45) | TRAP1F2MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11178213 | 0.88 | TRAP1 (0.44) | TRAP1F2MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11175681 | 0.87 | TRAP1 (0.39) | TRAP1F2MAPTRAB9AALDH1A1 | |
| Hydrochloric Acid SCHEMBL11785321 | 0.87 | TRAP1 (0.45) | TRAP1F2MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10753384 | 0.87 | TRAP1 (0.45) | TRAP1F2MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10749461 | 0.85 | TRAP1 (0.37) | TRAP1MAPTRAB9AALDH1A1HIF1A | |
| Hydrochloric Acid SCHEMBL10754765 | 0.85 | TRAP1 (0.37) | TRAP1ALDH1A1HIF1AKDM4E | |
| Hydrochloric Acid SCHEMBL10750243 | 0.84 | TRAP1 (0.39) | TRAP1MAPTALDH1A1HIF1AKDM4E | |
| Hydrochloric Acid SCHEMBL10751792 | 0.83 | TRAP1 (0.42) | TRAP1F2MAPTMEN1KMT2A |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6972299-B2 | Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles | HOFFMANN-LA ROCHE INC. (US) | 2005-12-06 | — | — | US | disclosed |
| US-6927232-B2 | Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles | HOFFMAN-LA ROCHE INC. (US) | 2005-08-09 | — | — | US | disclosed |
| EP-1349839-B8 | PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2005-06-22 | — | — | EP | disclosed |
| US-20050131043-A1 | Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles | MUTEL VINCENT (FR) | 2005-06-16 | — | — | US | disclosed |
| EP-1349839-B1 | PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2005-02-09 | — | — | EP | disclosed |
| US-6706707-B2 | TREATMENT OR PREVENTION OF MGLUR5 RECEPTOR MEDIATED DISORDERS. | HOFFMAN-LA ROCHE INC. | 2004-03-16 | — | — | US | disclosed |
| US-20030225070-A1 | Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles | MUTEL VINCENT (FR) | 2003-12-04 | — | — | US | disclosed |
| US-20030208082-A1 | Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles | MUTEL VINCENT (FR) | 2003-11-06 | — | — | US | disclosed |
| EP-1349839-A1 | PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-10-08 | — | — | EP | disclosed |
| US-20020128263-A1 | Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles | F.HOFFMANN-LA ROCHE AG (CH) | 2002-09-12 | — | — | US | disclosed |
| WO-2002046166-A1 | PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-13 | — | — | WO | disclosed |
| US-4375563-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1983-03-01 | — | — | US | disclosed |
| US-4338253-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1982-07-06 | — | — | US | disclosed |
| US-4321209-A | Fluorinated aromatic polyenes | HOFFMANN-LA ROCHE INC. (US) | 1982-03-23 | — | — | US | disclosed |
| US-4266073-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1981-05-05 | — | — | US | disclosed |
| US-4201727-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1980-05-06 | — | — | US | disclosed |
| US-4169100-A | FLUORO AND TRIFLUOROMETHYL SUBSTITUTED 9-(4-ALKOXY-2,3,6-TRIALKYLPHENYL)-2,4,6,8-NONATETRAENOIC ACIDS, ESTERS AND AMIDES, ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1979-09-25 | — | — | US | disclosed |
| US-4137246-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1979-01-30 | — | — | 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 (4 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-20050131043-A1 | Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles | GRM5, GRIK5, GRM6 | TRAP1 4400/4885F2 3935/4885MAPT 1568/4885 |
| US-20030208082-A1 | Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles | GRM5, GRIK5, GRM1 | TRAP1 4538/4885F2 3950/4885MAPT 2207/4885 |
| US-20020128263-A1 | Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles | GRM5, GRIK5, GRM1 | TRAP1 4538/4885F2 3950/4885MAPT 2207/4885 |
| US-20030225070-A1 | Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles | GRM5, GRIK5, HRH4 | TRAP1 3983/4885F2 3962/4885MAPT 2507/4885 |
“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.