Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8329657 | 0.81 | CYP2A6 (0.44) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL2563564 | 0.77 | EGFR (0.47) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL9067964 | 0.77 | ALDH1A1 (0.50) | ALDH1A1 | |
| SCHEMBL29953787 | 0.75 | MAOA (0.45) | CYP2A6ALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL16003909 | 0.75 | ALDH1A1 (0.39) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL16948168 | 0.75 | PYCR1 (0.61) | CYP2A6ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL3976211 | 0.75 | CYP2A6 (0.52) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL11130220 | 0.74 | CYP2A6 (0.38) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL12279617 | 0.74 | PYCR1 (0.55) | ALDH1A1LMNASMN1; SMN2ALDH1A3ALDH3A1 | |
| SCHEMBL16169565 | 0.74 | EGFR (0.36) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103665388-A | Supermolecule polymer and synthesis method thereof | XU ZIZHEN | 2014-03-26 | — | — | CN | claimed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| CN-103665388-A | Supermolecule polymer and synthesis method thereof | XU ZIZHEN | 2014-03-26 | — | — | CN | 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 |
| CN-100372849-C | Pyrrolopyrimidines as cysteine protease inhibitors | NOVARTIS AG (CH) | 2008-03-05 | — | — | CN | disclosed |
| EP-1423391-B8 | PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES | NOVARTIS AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| EP-1423391-B1 | PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES | NOVARTIS AG (CH) | 2006-05-17 | — | — | EP | disclosed |
| US-20050054851-A1 | Pyrrolo pyrimidines as agents for the inhibition of cystein proteases | NOVARTIS AG (CH) | 2005-03-10 | — | — | US | disclosed |
| CN-1549817-A | Pyrrolo pyrimidines, process for their preparation, their use and pharmaceutical compositions containing them | ��˹��ŵ�� | 2004-11-24 | — | — | CN | disclosed |
| EP-1423391-A1 | PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES | Novartis AG (CH) | 2004-06-02 | — | — | EP | 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 (2 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-20050054851-A1 | Pyrrolo pyrimidines as agents for the inhibition of cystein proteases | CTSK, CTSS, CTSZ | CYP2A6 2548/4885HSD17B10 3939/4885ALDH5A1 2770/4885 |
| US-20090054467-A1 | Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases | CTSK, CTSS, CTSZ | CYP2A6 2548/4885HSD17B10 3939/4885ALDH5A1 2770/4885 |
“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.