Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16832720 | 0.85 | ALDH1A1 (0.66) | GAAPOLBKDM4EALDH1A1CYP3A4 | |
| SCHEMBL13626342 | 0.83 | CYP3A4 (0.54) | GAAPOLBKDM4EALDH1A1CYP3A4 | |
| SCHEMBL14124983 | 0.81 | ALDH1A1 (0.50) | GAAPOLBKDM4EALDH1A1CYP3A4 | |
| SCHEMBL14124979 | 0.81 | ALDH1A1 (0.53) | GAAPOLBKDM4EALDH1A1CYP3A4 | |
| SCHEMBL13626341 | 0.81 | ALDH1A1 (0.50) | GAAPOLBKDM4EALDH1A1CYP3A4 | |
| SCHEMBL33942 | 0.77 | KDM4E (0.75) | GAAPOLBTSHRKDM4EMAPK1 | |
| SCHEMBL14124974 | 0.76 | ALDH1A1 (0.49) | GAAPOLBKDM4EMAPK1ALDH1A1 | |
| SCHEMBL14124978 | 0.76 | MAPK1 (0.57) | GAAPOLBMAPK1ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL7110274 | 0.75 | KDM4E (0.73) | GAAPOLBTSHRKDM4EMAPK1 | |
| SCHEMBL7108739 | 0.74 | POLB (0.60) | GAAPOLBTSHRKDM4EMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1675858-A2 | 5-ARYL-PYRAZOLO [4,3-D] PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2006-07-05 | — | — | EP | disclosed |
| US-20050070542-A1 | 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds | NEUROGEN CORPORATION | 2005-03-31 | — | — | US | disclosed |
| WO-2005028480-A2 | 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2005-03-31 | — | — | 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-20050070542-A1 | 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds | CRHR1, HTR5A, HTR1D | GAA 2860/4885POLB 4030/4885TSHR 284/4885 |
“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.