Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17429555 | 1.00 | CYP19A1 (0.33) | CYP19A1SIRT1SIRT2AHRMCL1 | |
| SCHEMBL903674 | 0.92 | SIRT2 (0.31) | CYP19A1SIRT2 | |
| SCHEMBL18057087 | 0.92 | MAOB (0.40) | CYP19A1MCL1 | |
| SCHEMBL10217749 | 0.92 | MAOB (0.40) | CYP19A1MCL1 | |
| SCHEMBL17429553 | 0.92 | ACLY (0.34) | CYP19A1NPC1 | |
| SCHEMBL10217746 | 0.92 | CYP19A1 (0.30) | CYP19A1 | |
| SCHEMBL903685 | 0.92 | ACLY (0.34) | CYP19A1NPC1 | |
| SCHEMBL903682 | 0.92 | ACLY (0.34) | CYP19A1NPC1 | |
| SCHEMBL17429552 | 0.82 | ACLY (0.34) | CYP19A1CYP2A6 | |
| SCHEMBL17429734 | 0.82 | ACLY (0.34) | CYP19A1CYP2A6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017097253-A1 | DEUTERIUM-MODIFIED ELBASVIR DERIVATIVE, DRUG COMPOSITION CONTAINING SAME, AND USE THEREOF | 正大天晴药业集团股份有限公司 | 2017-06-15 | — | — | WO | disclosed |
| US-20170166586-A1 | PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS | MSD R&D (CHINA) CO., LTD (CN) | 2017-06-15 | — | — | US | disclosed |
| US-20170166586-A1 | PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS | MSD R&D (CHINA) CO., LTD (CN) | 2017-06-15 | — | — | US | disclosed |
| WO-2016004899-A1 | PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2016-01-14 | — | — | WO | disclosed |
| WO-2012040923-A1 | TETRACYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |
| WO-2012041014-A1 | TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | 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-20170166586-A1 | PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS | CYP1A2, CYP3A5, CYP1B1 | CYP19A1 48/4885SIRT1 2477/4885SIRT2 2215/4885 |
“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.