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 | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | NEK2 | P51955 | 1/20 | 0.32 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | NSD2 | O96028 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7201520 | 0.76 | PDK2 (0.35) | PDK2MAPTGAAALDH1A1TP53 | |
| SCHEMBL6297394 | 0.76 | PDK2 (0.35) | PDK2MAPTGAAALDH1A1TP53 | |
| Carbon Monoxide SCHEMBL7193432 | 0.71 | MAPT (0.35) | PDK2MAPTGAAALDH1A1TP53 | |
| SCHEMBL65263 | 0.64 | MAPT (0.55) | PDK2MAPTGAAALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL15410555 | 0.63 | ALDH1A1 (0.31) | MAPTGAAALDH1A1TP53TSHR | |
| SCHEMBL5885185 | 0.63 | CHEK1 (0.39) | PDK2MAPTGAAALDH1A1TP53 | |
| SCHEMBL8063025 | 0.61 | PDK2 (0.33) | PDK2MAPTGAAALDH1A1TP53 | |
| SCHEMBL29239 | 0.61 | TSHR (0.50) | MAPTGAAALDH1A1TP53TSHR | |
| SCHEMBL29435133 | 0.61 | TSHR (0.50) | MAPTGAAALDH1A1TP53TSHR | |
| SCHEMBL21065735 | 0.59 | TSHR (0.47) | MAPTGAAALDH1A1TP53TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6838563-B2 | Monocyclopentadienyl complexes of chromium, molybdenum or tungsten | BASELL POLYOLEFINS (DE) | 2005-01-04 | — | — | US | disclosed |
| US-6787498-B2 | AS CATALYSTS FOR POLYMERIZATION OF OLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2004-09-07 | — | — | US | disclosed |
| US-6699948-B2 | AS CATALYSTS FOR POLYMERIZATION OF OLEFINS | BASF AKTIENGESELLSCHAFT (DE) | 2004-03-02 | — | — | US | disclosed |
| US-20030055267-A1 | Monocyclopentadienyl complexes of chromium, molybdenum or tungsten | MIHAN SHAHRAM (DE) | 2003-03-20 | — | — | US | disclosed |
| US-20030036658-A1 | Monocyclopentadienyl complexes of chromium, molybdenum or tungsten | MIHAN SHAHRAM (DE) | 2003-02-20 | — | — | US | disclosed |
| US-20030036662-A1 | Monocyclopentadienyl complexes of chromium, molybdenum or tungsten | MIHAN SHAHRAM (DE) | 2003-02-20 | — | — | US | disclosed |
| US-6437161-B1 | OLEFIN POLYMERIZATION CATALYSTS; SUBSTITUENT ON THE CYCLOPENTADIENYL RING CARRIES A DONOR FUNCTION WHICH IS BONDED RIGIDLY, NOT EXCLUSIVELY VIA SP3-HYBRIDIZED CARBON OR SILICON ATOMS, | BASF AKTIENGESELLSCHAFT (DE) | 2002-08-20 | — | — | 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-20030055267-A1 | Monocyclopentadienyl complexes of chromium, molybdenum or tungsten | SKIC3, ORC3, MCM3 | PDK2 1185/4885MAPT 3160/4885GAA 4825/4885 |
| US-20030036662-A1 | Monocyclopentadienyl complexes of chromium, molybdenum or tungsten | SKIC3, ORC3, MCM3 | PDK2 1185/4885MAPT 3160/4885GAA 4825/4885 |
| US-20030036658-A1 | Monocyclopentadienyl complexes of chromium, molybdenum or tungsten | SKIC3, ORC3, MCM3 | PDK2 1185/4885MAPT 3160/4885GAA 4825/4885 |
“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.