Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | FBP1 | P09467 | 1/20 | 0.34 |
| ▸ | CCR9 | P51686 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | ALPL | P05186 | 2/20 | 0.33 |
| ▸ | ALPI | P09923 | 2/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6474554 | 0.97 | KEAP1 (0.39) | KEAP1NFE2L2ALDH1A1KDM4EHTT | |
| SCHEMBL5780499 | 0.87 | KEAP1 (0.37) | KEAP1NFE2L2ALDH1A1KMT2AMEN1 | |
| SCHEMBL5784090 | 0.86 | KEAP1 (0.49) | KEAP1NFE2L2ALDH1A1KMT2AGBA1 | |
| SCHEMBL6477402 | 0.83 | KEAP1 (0.50) | KEAP1NFE2L2ALDH1A1KMT2AGBA1 | |
| SCHEMBL5782487 | 0.80 | KEAP1 (0.38) | KEAP1NFE2L2ALDH1A1KDM4EHTT | |
| SCHEMBL6484636 | 0.80 | ALDH1A1 (0.37) | ALDH1A1KDM4EHTTNPSR1KMT2A | |
| SCHEMBL5781105 | 0.79 | KEAP1 (0.37) | KEAP1NFE2L2ALDH1A1HTTKMT2A | |
| SCHEMBL5784112 | 0.78 | KEAP1 (0.41) | KEAP1NFE2L2ALDH1A1KDM4EHTT | |
| SCHEMBL5779910 | 0.78 | KEAP1 (0.36) | KEAP1NFE2L2ALDH1A1ALPLSCN9A | |
| SCHEMBL5780259 | 0.77 | KEAP1 (0.36) | KEAP1NFE2L2ALDH1A1ALPLSCN9A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1436293-B1 | POLYCYCLIC COMPOUNDS HAVING ANTI-TUMOR ACTIVITY | HOFFMANN LA ROCHE (CH) | 2006-02-01 | — | — | EP | disclosed |
| US-6946472-B2 | Polycyclic compounds exhibiting anti-tumor activities | HOFFMAN-LA ROCHE INC. (US) | 2005-09-20 | — | — | US | disclosed |
| EP-1436293-A1 | POLYCYCLIC COMPOUNDS HAVING ANTI-TUMOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2004-07-14 | — | — | EP | disclosed |
| US-6680326-B2 | ANTITUMOR AGENTS; ANTICANCER AGENTS | HOFFMANN-LA ROCHE INC. | 2004-01-20 | — | — | 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 |
| US-20030073691-A1 | Polycyclic compounds | HOFFMANN-LA ROCHE INC. | 2003-04-17 | — | — | US | disclosed |
| WO-2003031444-A1 | POLYCYCLIC COMPOUNDS HAVING ANTI-TUMOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-17 | — | — | 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 (2 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-20030073691-A1 | Polycyclic compounds | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, PKD1 | KEAP1 1124/4885NFE2L2 1028/4885ALDH1A1 1636/4885 |
| US-20030229098-A1 | Polycyclic compounds exhibiting anti-tumor activities | RB1, CCNA1, ACIN1 | KEAP1 520/4885NFE2L2 295/4885ALDH1A1 642/4885 |
“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.