Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | STK17B | O94768 | 1/20 | 0.30 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6017630 | 0.84 | TP53 (0.31) | MAPT | |
| SCHEMBL9811868 | 0.83 | HSD17B10 (0.32) | KDM4EALDH1A1 | |
| SCHEMBL4714174 | 0.82 | NR1H2 (0.34) | — | |
| SCHEMBL4711556 | 0.81 | ALDH1A1 (0.31) | KDM4EALDH1A1MAPT | |
| SCHEMBL7275965 | 0.81 | NR1H2 (0.35) | KDM4EALDH1A1MAPT | |
| SCHEMBL6958668 | 0.81 | NR1H2 (0.33) | ALDH1A1 | |
| SCHEMBL5691656 | 0.79 | NPSR1 (0.45) | ALDH1A1MAPTSTK17BSTK17A | |
| SCHEMBL163219 | 0.77 | ABCG2 (0.32) | ALDH1A1MAPT | |
| SCHEMBL5172213 | 0.77 | ABCG2 (0.35) | ALDH1A1MAPT | |
| SCHEMBL2489503 | 0.76 | GABRG2 (0.35) | ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1427418-A4 | PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS AND METHODS OF TREATMENT | UNIV YALE (US) | 2004-11-17 | — | — | EP | disclosed |
| EP-1427418-A2 | PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS AND METHODS OF TREATMENT | YALE UNIVERSITY (US) | 2004-06-16 | — | — | EP | disclosed |
| WO-2003017939-A2 | PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS AND METHODS OF TREATMENT | YALE UNIVERSITY (US) | 2003-03-06 | — | — | WO | disclosed |