Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL2112682 | 0.91 | CYP3A4 (0.57) | CYP3A4CRBNDRD3ABCB1GRIN1 | |
| SCHEMBL2915217 | 0.89 | CYP3A4 (0.42) | CYP3A4CRBNABCB1KDM4EALDH1A1 | |
| SCHEMBL2915585 | 0.87 | CYP3A4 (0.43) | CYP3A4CRBNGRIN1GRIN2BLMNA | |
| SCHEMBL2713227 | 0.86 | CYP3A4 (0.59) | CYP3A4CRBNDRD3ABCB1GRIN1 | |
| SCHEMBL2915218 | 0.85 | CYP3A4 (0.40) | CYP3A4CRBNADRB1 | |
| SCHEMBL2112552 | 0.84 | CYP3A4 (0.56) | CYP3A4CRBNDRD3ABCB1GRIN1 | |
| SCHEMBL2914859 | 0.84 | CYP3A4 (0.40) | CYP3A4CRBNABCB1ADRB1 | |
| SCHEMBL2112556 | 0.82 | CYP3A4 (0.56) | CYP3A4CRBNDRD3ABCB1GRIN1 | |
| SCHEMBL2714019 | 0.81 | CYP3A4 (0.56) | CYP3A4CRBNDRD3GRIN1GRIN2B | |
| SCHEMBL2915916 | 0.81 | CRBN (0.39) | CYP3A4CRBNHPGDSMN1; SMN2ADRB1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2445875-A2 | HETEROCYCLIC ANTIVIRAL COMPOUND | F. Hoffmann-La Roche AG (CH) | 2012-05-02 | — | — | EP | claimed |
| US-20100330032-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | CHIN ELBERT | 2010-12-30 | — | — | US | claimed |
| WO-2010149598-A2 | HETEROCYCLIC ANTIVIRAL COMPOUND | F. HOFFMANN-LA ROCHE AG (CH) | 2010-12-29 | — | — | WO | claimed |
| EP-2445875-A2 | HETEROCYCLIC ANTIVIRAL COMPOUND | F. Hoffmann-La Roche AG (CH) | 2012-05-02 | — | — | EP | disclosed |
| US-8158631-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-04-17 | — | — | US | disclosed |
| US-20100330032-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | CHIN ELBERT | 2010-12-30 | — | — | US | disclosed |
| WO-2010149598-A2 | HETEROCYCLIC ANTIVIRAL COMPOUND | F. HOFFMANN-LA ROCHE AG (CH) | 2010-12-29 | — | — | WO | disclosed |
| WO-2010149598-A2 | HETEROCYCLIC ANTIVIRAL COMPOUND | F. HOFFMANN-LA ROCHE AG (CH) | 2010-12-29 | — | — | WO | disclosed |
| EP-2203430-A1 | N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS | Abbott Laboratories (US) | 2010-07-07 | — | — | EP | disclosed |
| WO-2009039135-A1 | N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS | ABBOTT LABORATORIES (US) | 2009-03-26 | — | — | 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-20100330032-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | EIF2AK2, HCCS, RTF2 | CYP3A4 305/4885CRBN 2969/4885DRD3 2182/4885 |
“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.