Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 3/20 | 0.55 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.46 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23016392 | 0.98 | KEAP1 (0.57) | KEAP1NFE2L2EPHX2HPGDEPHX1 | |
| SCHEMBL24340632 | 0.93 | KEAP1 (0.60) | KEAP1NFE2L2EPHX2HPGDEPHX1 | |
| SCHEMBL12954012 | 0.92 | KEAP1 (0.46) | KEAP1NFE2L2EPHX2CHRNB2CHRNB4 | |
| SCHEMBL9502456 | 0.92 | CHRNB2 (0.56) | KEAP1NFE2L2EPHX2CHRNB2CHRNB4 | |
| SCHEMBL15680573 | 0.88 | KEAP1 (0.66) | KEAP1NFE2L2EPHX2HPGDEPHX1 | |
| SCHEMBL5242576 | 0.84 | HDAC3 (0.51) | KEAP1NFE2L2EPHX2HPGDEPHX1 | |
| SCHEMBL7390370 | 0.81 | KEAP1 (0.55) | KEAP1NFE2L2EPHX2HPGDEPHX1 | |
| SCHEMBL6359085 | 0.81 | KEAP1 (0.55) | KEAP1NFE2L2EPHX2HPGDEPHX1 | |
| SCHEMBL24193476 | 0.80 | KEAP1 (0.57) | KEAP1NFE2L2EPHX2HPGDEPHX1 | |
| SCHEMBL628952 | 0.80 | KEAP1 (0.57) | KEAP1NFE2L2EPHX2HPGDEPHX1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100016545-A1 | PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT | DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) | 2010-01-21 | — | — | 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-20100016545-A1 | PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT | CX3CR1, NR3C2, NR4A2 | KEAP1 2129/4885NFE2L2 343/4885EPHX2 677/4885 |
“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.