Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | C1R | P00736 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 3/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL5784090 | 0.97 | KEAP1 (0.49) | KEAP1NFE2L2C1RPRSS1ALDH1A1 | |
| SCHEMBL6474554 | 0.85 | KEAP1 (0.39) | KEAP1NFE2L2ALDH1A1GBA1KMT2A | |
| SCHEMBL5779248 | 0.83 | KEAP1 (0.38) | KEAP1NFE2L2ALDH1A1GBA1MEN1 | |
| SCHEMBL5784112 | 0.83 | KEAP1 (0.41) | KEAP1NFE2L2ALDH1A1MAOAMAOB | |
| SCHEMBL5780499 | 0.81 | KEAP1 (0.37) | KEAP1NFE2L2ALDH1A1MEN1KMT2A | |
| SCHEMBL5780259 | 0.79 | KEAP1 (0.36) | KEAP1NFE2L2ALDH1A1MAOBGAA | |
| SCHEMBL6775253 | 0.77 | MAOA (0.44) | C1RALDH1A1MAOAMAOBGAA | |
| SCHEMBL5782487 | 0.76 | KEAP1 (0.38) | KEAP1NFE2L2ALDH1A1MAOAMAOB | |
| SCHEMBL5779910 | 0.76 | KEAP1 (0.36) | KEAP1NFE2L2ALDH1A1MAOBGAA | |
| SCHEMBL8545767 | 0.75 | MAOA (0.41) | KEAP1NFE2L2ALDH1A1MAOAMAOB |
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-6946472-B2 | Polycyclic compounds exhibiting anti-tumor activities | HOFFMAN-LA ROCHE INC. (US) | 2005-09-20 | — | — | US | disclosed |
| US-20030229098-A1 | Polycyclic compounds exhibiting anti-tumor activities | F.HOFFMANN-LA ROCHE AG (CH) | 2003-12-11 | — | — | US | disclosed |
| WO-2003093265-A1 | DIMERIC POLYCYCLIC COMPOUNDS FOR THE TREATMENT OF TUMORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-13 | — | — | 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-20030229098-A1 | Polycyclic compounds exhibiting anti-tumor activities | RB1, CCNA1, ACIN1 | KEAP1 520/4885NFE2L2 295/4885C1R 2878/4885 |
“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.