Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.40 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9701789 | 0.83 | PEPD (0.48) | SIGMAR1CYP2D6CYP3A4CA12CA1 | |
| SCHEMBL1983930 | 0.81 | NPC1 (0.50) | SIGMAR1KCNH2CYP2D6ARTP53 | |
| SCHEMBL1983932 | 0.81 | NPC1 (0.50) | SIGMAR1KCNH2CYP2D6ARTP53 | |
| SCHEMBL11236640 | 0.81 | GRIN2D (0.58) | SIGMAR1CYP1A2CYP3A4CYP2C19GRIN2D | |
| SCHEMBL11232538 | 0.81 | GRIN2D (0.55) | SIGMAR1CYP2D6TP53CYP3A4GRIN2D | |
| SCHEMBL15094415 | 0.81 | GRIN2D (0.55) | SIGMAR1CYP2D6TP53CYP3A4GRIN2D | |
| SCHEMBL160935 | 0.78 | MDM2 (0.44) | CYP1A2CYP3A4CYP2C19ABCC9KCNJ11 | |
| SCHEMBL5949813 | 0.78 | SIGMAR1 (0.41) | SIGMAR1KCNH2CYP2D6ARTP53 | |
| SCHEMBL5949807 | 0.78 | SIGMAR1 (0.41) | SIGMAR1KCNH2CYP2D6ARTP53 | |
| SCHEMBL15366862 | 0.78 | MDM2 (0.44) | CYP1A2CYP3A4CYP2C19ABCC9KCNJ11 |
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-8541572-B2 | Compounds for the treatment of inflammatory disorders | MERCK SHARP & DOHME CORP. (US) | 2013-09-24 | — | — | US | disclosed |
| US-8541572-B2 | Compounds for the treatment of inflammatory disorders | MERCK SHARP & DOHME CORP. (US) | 2013-09-24 | — | — | US | disclosed |
| US-20120010181-A1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | MERCK SHARP & DOHME CORP. | 2012-01-12 | — | — | US | disclosed |
| US-20120010181-A1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | MERCK SHARP & DOHME CORP. | 2012-01-12 | — | — | 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 (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-20120010181-A1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | TNF, ADAMTS1, ADAMTS7 | SIGMAR1 3870/4885KCNH2 4601/4885CYP2D6 908/4885 |
“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.