Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13561660 | 0.86 | CYP1A2 (0.46) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL16892342 | 0.82 | KDM4E (0.48) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL4429156 | 0.79 | KDM4E (0.44) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL7915531 | 0.79 | ALDH1A1 (0.66) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| Iodide SCHEMBL27218977 | 0.78 | ALDH1A1 (0.64) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL15045445 | 0.75 | KEAP1 (0.47) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL15045567 | 0.74 | CYP1A2 (0.41) | CYP1A2ALDH1A1KDM4EGAAL3MBTL1 | |
| SCHEMBL599276 | 0.74 | CYP1A2 (0.65) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL30694959 | 0.74 | CYP1A2 (0.65) | CYP2A6CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL824649 | 0.73 | KDM4E (0.63) | CYP2A6CYP1A2ALDH1A1KDM4EGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9796705-B2 | Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases | MERCK SHARP & DOHME CORP. (US) | 2017-10-24 | — | — | US | disclosed |
| US-20170008879-A1 | FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2017-01-12 | — | — | US | disclosed |
| US-20130156731-A1 | FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS | SCHERING CORPORATION | 2013-06-20 | — | — | 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-20130156731-A1 | FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS | HAVCR2, ELOC, ZC3HAV1 | CYP2A6 256/4885CYP1A2 364/4885ALDH1A1 578/4885 |
| US-20170008879-A1 | FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | ZC3HAV1, HAVCR2, ZC3HAV1L | CYP2A6 1828/4885CYP1A2 1816/4885ALDH1A1 3470/4885 |
“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.