Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TNKS | O95271 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | CASP9 | P55211 | 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 | |
|---|---|---|---|---|
| SCHEMBL3405437 | 0.84 | CYP3A4 (0.61) | CYP3A4 | |
| SCHEMBL860732 | 0.82 | PTGES (0.48) | CYP3A4KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL13071134 | 0.78 | TNKS (0.41) | TNKSKDM4EALDH1A1HPGDRAB9A | |
| SCHEMBL13030240 | 0.78 | ALDH1A1 (0.38) | CYP3A4TNKSKDM4EALDH1A1HPGD | |
| SCHEMBL1543040 | 0.77 | CYP3A4 (0.55) | CYP3A4KDM4EGAAALDH1A1HPGD | |
| SCHEMBL1542685 | 0.77 | CYP3A4 (0.55) | CYP3A4PDGFRBEGFRERBB2 | |
| SCHEMBL2128598 | 0.76 | CYP3A4 (0.54) | CYP3A4ALDH1A1THRBPDGFRBEGFR | |
| SCHEMBL2128925 | 0.76 | CYP3A4 (0.54) | CYP3A4KDM4EGAAALDH1A1RAB9A | |
| SCHEMBL1542385 | 0.74 | CYP3A4 (0.64) | CYP3A4KDM4EGAAALDH1A1RAB9A | |
| SCHEMBL2128919 | 0.73 | CYP3A4 (0.52) | CYP3A4EGFRERBB2PARP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2432554-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-03-28 | — | — | EP | claimed |
| WO-2010133528-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-25 | — | — | WO | claimed |
| US-20100297073-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | CHIN ELBERT | 2010-11-25 | — | — | US | claimed |
| US-20100297073-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | CHIN ELBERT | 2010-11-25 | — | — | 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 (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-20100297073-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | POLR2A, EIF2AK2, POLR2B | CYP3A4 302/4885TNKS 1898/4885KDM4E 1388/4885 |
“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.