Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 7/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 9/20 | 0.37 |
| ▸ | DRD5 | P21918 | 9/20 | 0.37 |
| ▸ | DRD2 | P14416 | 8/20 | 0.37 |
| ▸ | DRD4 | P21917 | 7/20 | 0.37 |
| ▸ | DRD3 | P35462 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15042824 | 0.79 | DRD1 (0.38) | TYMSCYP2A6DRD1DRD5DRD2 | |
| SCHEMBL15045453 | 0.73 | CYP2A6 (0.41) | CYP2A6DRD1DRD5DRD2DRD4 | |
| SCHEMBL29339076 | 0.72 | NPY5R (0.51) | TYMSDRD4KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL15116441 | 0.72 | TYMS (0.63) | TYMSKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL13183571 | 0.71 | GAA (0.45) | TYMSKDM4ESMN1; SMN2 | |
| SCHEMBL15045572 | 0.68 | DRD1 (0.42) | CYP2A6DRD1DRD5DRD2DRD4 | |
| SCHEMBL6648736 | 0.68 | TYMS (1.00) | TYMS | |
| SCHEMBL19485963 | 0.68 | TYMS (0.47) | TYMSMEN1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL19485960 | 0.67 | TYMS (0.46) | TYMSDRD2HTR2C | |
| SCHEMBL15045554 | 0.67 | TYMS (0.33) | TYMSKDM4EHPGDSMN1; SMN2 |
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 | TYMS 747/4885CYP2A6 256/4885DRD1 2549/4885 |
| US-20170008879-A1 | FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | ZC3HAV1, HAVCR2, ZC3HAV1L | TYMS 249/4885CYP2A6 1828/4885DRD1 4500/4885 |
“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.