Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | GRK5 | P34947 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13106328 | 0.86 | ADORA2A (0.35) | ADORA2AADORA2BBTKKITPDGFRA | |
| SCHEMBL13106286 | 0.83 | L3MBTL1 (0.43) | ADORA2AADORA2BSMN1; SMN2MAPTKIT | |
| SCHEMBL13106281 | 0.83 | CHRM4 (0.38) | ADORA2AADORA2BBTKKITPDGFRA | |
| SCHEMBL20101130 | 0.82 | ADORA2A (0.33) | ADORA2AADORA2BBTKCHRM4 | |
| SCHEMBL13106185 | 0.80 | CHRM4 (0.39) | ADORA2AADORA2BKITPDGFRAKDR | |
| SCHEMBL10151108 | 0.80 | DHFR (0.31) | ADORA2AADORA2BALDH1A1BTK | |
| SCHEMBL17348190 | 0.80 | NOS3 (0.35) | ADORA2AADORA2BSMN1; SMN2HPGDBTK | |
| SCHEMBL24393044 | 0.77 | PDE10A (0.51) | NQO2SMN1; SMN2GLAKDRLMNA | |
| SCHEMBL12163 | 0.76 | KIT (0.41) | NQO2KDM4EALDH1A1BTKMAPT | |
| SCHEMBL15345099 | 0.76 | LMNA (0.40) | NQO2KDM4EALDH1A1MAPTRAB9A |
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-9493461-B2 | Tetracyclic heterocycle compounds and methods of use thereof for the treatment of hepatitis C | MERCK SHARP & DOHME CORP. (US) | 2016-11-15 | — | — | US | disclosed |
| US-9243002-B2 | Tetracyclic heterocycle compounds and methods of use thereof for the treatment of hepatitis C | MERCK SHARP & DOHME CORP. (US) | 2016-01-26 | — | — | US | disclosed |
| US-20150368246-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME CORP. (US) | 2015-12-24 | — | — | US | disclosed |
| US-20150361101-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME CORP. (US) | 2015-12-17 | — | — | 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 (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-20150361101-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | HCCS, HAVCR2, CYP7A1 | ADORA2A 4148/4885ADORA2B 3898/4885NQO2 199/4885 |
| US-20150368246-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | HCCS, HAVCR2, CYP7A1 | ADORA2A 4152/4885ADORA2B 3943/4885NQO2 178/4885 |
“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.