Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.60 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.60 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.60 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.60 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.60 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.60 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.60 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TYR | P14679 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9453991 | 0.85 | GAA (0.70) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL27295444 | 0.84 | KMT2A (0.59) | CYP1A2SIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL4519890 | 0.84 | KMT2A (0.59) | CYP1A2SIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL27390322 | 0.82 | KMT2A (0.58) | CYP1A2SIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL8269124 | 0.82 | SIGMAR1 (0.60) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL5031452 | 0.82 | SIGMAR1 (0.60) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL3597276 | 0.81 | CYP1A2 (0.56) | CYP1A2SIGMAR1GRIN2DGRIN3BGRIN1 | |
| Hydrochloric Acid SCHEMBL8884369 | 0.81 | SIGMAR1 (0.61) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL3427115 | 0.81 | ALDH1A1 (0.60) | CYP1A2KMT2AALDH1A1GAAMAPT | |
| SCHEMBL5960303 | 0.81 | KMT2A (0.56) | CYP1A2SIGMAR1GRIN2DGRIN3BGRIN1 |
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-20110105436-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-05-05 | — | — | US | disclosed |
| US-20090286813-A1 | Thioxanthine Derivatives and Their Use as Inhibitors of MPO | ASTRAZENECA AB (SE) | 2009-11-19 | — | — | US | disclosed |
| WO-2009114552-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2009-09-17 | — | — | WO | disclosed |
| CN-101472926-A | Thioxanthine derivatives and their use as inhibitors of mpo | ASTRAZENECA AB (SE) | 2009-07-01 | — | — | CN | disclosed |
| EP-2010534-A1 | THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO | AstraZeneca AB (SE) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007120097-A1 | THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO | ASTRAZENECA AB (SE) | 2007-10-25 | — | — | WO | disclosed |
| US-20070010671-A1 | Novel quinazoline derivatives and methods of treatment related to the use thereof | ARENA PHARMACEUTICALS, INC. | 2007-01-11 | — | — | 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-20090286813-A1 | Thioxanthine Derivatives and Their Use as Inhibitors of MPO | MPO, XDH, EPX | CYP1A2 192/4885SIGMAR1 249/4885GRIN2D 2470/4885 |
| US-20110105436-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT | VHL, TP53, BECN1 | CYP1A2 3844/4885SIGMAR1 4032/4885GRIN2D 4492/4885 |
| US-20070010671-A1 | Novel quinazoline derivatives and methods of treatment related to the use thereof | MCHR1, GPR119, MCHR2 | CYP1A2 407/4885SIGMAR1 125/4885GRIN2D 304/4885 |
“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.