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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3719725 | 0.97 | SMN1; SMN2 (0.52) | ALDH1A1SMN1; SMN2L3MBTL1ESR2NPC1 | |
| Hydrochloric Acid SCHEMBL2203867 | 0.96 | SMN1; SMN2 (0.51) | ALDH1A1SMN1; SMN2L3MBTL1ESR2NPC1 | |
| SCHEMBL3803169 | 0.82 | GSTO1 (0.52) | ALDH1A1SMN1; SMN2L3MBTL1ESR2NPC1 | |
| SCHEMBL9621556 | 0.81 | TDP1 (0.56) | ALDH1A1SMN1; SMN2L3MBTL1ESR2NPC1 | |
| SCHEMBL11877299 | 0.81 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2L3MBTL1ESR2NPC1 | |
| SCHEMBL20679575 | 0.80 | SMN1; SMN2 (0.54) | ALDH1A1SMN1; SMN2L3MBTL1ESR2NPC1 | |
| SCHEMBL4233782 | 0.79 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2L3MBTL1ESR2NPC1 | |
| SCHEMBL3800184 | 0.79 | MAPT (0.54) | ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A | |
| SCHEMBL23707096 | 0.78 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2L3MBTL1ESR2NPC1 | |
| SCHEMBL10944257 | 0.78 | PTPN1 (0.54) | ALDH1A1SMN1; SMN2ESR2NPC1RAB9A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2188292-B1 | 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER | GLAXOSMITHKLINE IP DEV LTD (GB) | 2013-05-29 | — | — | EP | disclosed |
| US-7981903-B2 | 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer | GLAXOSMITHKLINE LLC (US) | 2011-07-19 | — | — | US | disclosed |
| US-20100204196-A1 | 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer | GLAXOSMITHKLINE LLC | 2010-08-12 | — | — | US | disclosed |
| EP-2188292-A1 | 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER | GlaxoSmithKline LLC (US) | 2010-05-26 | — | — | EP | disclosed |
| WO-2010045451-A1 | PYRROLOPYRIMIDINE COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2010-04-22 | — | — | WO | disclosed |
| WO-2009020990-A1 | 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER | SMITHKLINE BEECHAM CORPORATION (US) | 2009-02-12 | — | — | 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 (1 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-20100204196-A1 | 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer | IGF1R, IGFBP2, IGFBP1 | ALDH1A1 378/4885SMN1; SMN2 1639/4885L3MBTL1 4249/4885 |
“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.