Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.43 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7444297 | 1.00 | CTRB1 (0.47) | CTRB1ABCB1ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL9307089 | 0.84 | CTRB1 (0.49) | CTRB1ABCB1ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL9391334 | 0.82 | CTRB1 (0.47) | CTRB1ABCB1ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL2968658 | 0.82 | ITGB3 (0.59) | CTRB1ABCB1ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL2494968 | 0.82 | ITGB3 (0.59) | CTRB1ABCB1ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL8067076 | 0.82 | ITGB3 (0.59) | CTRB1ABCB1ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL31739224 | 0.82 | ITGB3 (0.59) | CTRB1ABCB1ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL29897717 | 0.81 | CTRB1 (0.38) | CTRB1ABCB1ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL6272162 | 0.81 | SLC6A2 (0.46) | CTRB1ABCB1ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL26654521 | 0.81 | ITGB3 (0.58) | CTRB1ABCB1ALDH1A1MAPK1L3MBTL1 |
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 |