Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 5/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.33 |
| ▸ | TAF1 | P21675 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.33 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.33 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | IGF1R | P08069 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1359862 | 0.75 | MCL1 (0.39) | CYP3A4KDM4EALDH1A1GAACYP1A2 | |
| SCHEMBL1359429 | 0.74 | CYP3A4 (0.36) | CYP3A4KDM4EBRD4ABL1 | |
| SCHEMBL1360187 | 0.73 | CYP3A4 (0.40) | CYP3A4KDM4EALDH1A1GAACYP1A2 | |
| SCHEMBL19499088 | 0.70 | KCNH2 (0.34) | CYP3A4CYP1A2 | |
| SCHEMBL1542685 | 0.69 | CYP3A4 (0.55) | CYP3A4BRD4IGF1RABL1CDK4 | |
| SCHEMBL1543040 | 0.69 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GAACYP1A2 | |
| SCHEMBL1543223 | 0.69 | CYP3A4 (0.47) | CYP3A4KDM4EALDH1A1GAAKMT2A | |
| SCHEMBL2128925 | 0.68 | CYP3A4 (0.54) | CYP3A4KDM4EALDH1A1GAANPC1 | |
| SCHEMBL2128598 | 0.68 | CYP3A4 (0.54) | CYP3A4ALDH1A1ABL1 | |
| SCHEMBL1359848 | 0.68 | CYP3A4 (0.40) | CYP3A4KDM4EALDH1A1GAACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8067442-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2011-11-29 | — | — | US | disclosed |
| EP-2334662-A1 | PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV | F. Hoffmann-La Roche AG (CH) | 2011-06-22 | — | — | EP | disclosed |
| US-20100081658-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ROCHE PALO ALTO LLC | 2010-04-01 | — | — | US | disclosed |
| WO-2010034671-A1 | PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-01 | — | — | 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-20100081658-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | EIF2AK2, POLR2A, HCCS | CYP3A4 713/4885KDM4E 2198/4885ALDH1A1 1038/4885 |
“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.