Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.64 |
| ▸ | DRD1 | P21728 | 1/20 | 0.64 |
| ▸ | DRD3 | P35462 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | HTR1B | P28222 | 2/20 | 0.51 |
| ▸ | HTR1D | P28221 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9706154 | 0.88 | DRD3 (0.67) | DRD2DRD1DRD3KDM4EALDH1A1 | |
| SCHEMBL12603021 | 0.88 | ALDH1A1 (0.71) | DRD2DRD1DRD3KDM4EALDH1A1 | |
| SCHEMBL10990426 | 0.82 | ALDH1A1 (0.59) | DRD2DRD1DRD3KDM4EALDH1A1 | |
| Guaiactamine SCHEMBL25797 | 0.81 | ALDH1A1 (0.78) | DRD2DRD1DRD3KDM4EALDH1A1 | |
| SCHEMBL28428684 | 0.81 | DRD3 (0.59) | DRD2DRD1DRD3KDM4EALDH1A1 | |
| SCHEMBL23074694 | 0.81 | HTR1B (0.54) | DRD2DRD1ALDH1A1HTR1BHTR1D | |
| SCHEMBL8352887 | 0.81 | HTR7 (0.65) | DRD2DRD1KDM4EALDH1A1HTR1B | |
| SCHEMBL16646748 | 0.80 | ALDH1A1 (0.48) | DRD2DRD1DRD3KDM4EALDH1A1 | |
| SCHEMBL14970711 | 0.80 | DRD2 (0.71) | DRD2DRD1DRD3KDM4EALDH1A1 | |
| SCHEMBL20621345 | 0.80 | HTR7 (0.69) | DRD2DRD1DRD3KDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090054467-A1 | Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases | BETSCHART CLAUDIA | 2009-02-26 | — | — | US | disclosed |
| US-20090054467-A1 | Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases | BETSCHART CLAUDIA | 2009-02-26 | — | — | US | disclosed |
| US-7452886-B2 | Pyrrolo pyrimidines as agents for the inhibition of cystein proteases | NOVARTIS AG (CH) | 2008-11-18 | — | — | US | disclosed |
| US-7452886-B2 | Pyrrolo pyrimidines as agents for the inhibition of cystein proteases | NOVARTIS AG (CH) | 2008-11-18 | — | — | US | disclosed |
| WO-2003020721-A1 | PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES | NOVARTIS AG (CH) | 2003-03-13 | — | — | 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-20090054467-A1 | Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases | CTSK, CTSS, CTSZ | DRD2 4870/4885DRD1 4868/4885DRD3 4862/4885 |
“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.