Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.37 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.37 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12912460 | 0.92 | ESR1 (0.45) | NLRP3PDE10ASIRT2SIRT1ESR1 | |
| SCHEMBL12912538 | 0.91 | ESR1 (0.44) | NLRP3PDE10ASIRT2SIRT1ESR1 | |
| SCHEMBL12912505 | 0.89 | ESR1 (0.43) | NLRP3SIRT2SIRT1ESR1ESR2 | |
| SCHEMBL12912527 | 0.89 | SIRT2 (0.43) | NLRP3PDE10ASIRT2SIRT1ESR1 | |
| SCHEMBL9976943 | 0.89 | ESR1 (0.43) | NLRP3PDE10ASIRT2SIRT1ESR1 | |
| SCHEMBL12912496 | 0.89 | ESR1 (0.39) | PDE10ASIRT2SIRT1ESR1ESR2 | |
| SCHEMBL12912474 | 0.88 | GRIA1 (0.46) | SIRT2SIRT1ESR1ESR2ALDH1A1 | |
| SCHEMBL12912502 | 0.88 | ESR1 (0.42) | NLRP3PDE10ASIRT2SIRT1ESR1 | |
| SCHEMBL12912522 | 0.88 | ESR1 (0.42) | NLRP3PDE10ASIRT2SIRT1ESR1 | |
| SCHEMBL12912510 | 0.88 | ESR1 (0.42) | NLRP3SIRT2SIRT1ESR1ESR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8945724-B2 | Nitrogen-containing heterocyclic derivative and organic electroluminescent device using the same | IDEMITSU KOSAN CO., LTD. (JP) | 2015-02-03 | — | — | US | disclosed |
| US-20110012092-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | IDEMITSU KOSAN CO., LTD. (JP) | 2011-01-20 | — | — | 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 (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-20110012092-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | NUDC, TYR, NUDT1 | NLRP3 58/4885PDE10A 1569/4885SIRT2 942/4885 |
“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.