Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.52 |
| ▸ | HPGD | P15428 | 7/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL7368594 | 1.00 | KDM4E (0.52) | KDM4EHSD17B10HPGDCYP2C9CYP3A4 | |
| SCHEMBL7449519 | 0.95 | HSD17B10 (0.55) | KDM4EHSD17B10HPGDCYP2C9CYP3A4 | |
| SCHEMBL7449531 | 0.95 | HSD17B10 (0.55) | KDM4EHSD17B10HPGDCYP2C9CYP3A4 | |
| SCHEMBL7366261 | 0.89 | KDM4E (0.44) | KDM4EHSD17B10HPGDCYP2C9CYP3A4 | |
| SCHEMBL7366256 | 0.89 | KDM4E (0.44) | KDM4EHSD17B10HPGDCYP2C9CYP3A4 | |
| SCHEMBL7449523 | 0.86 | HSD17B10 (0.50) | KDM4EHSD17B10HPGDCYP2C9CYP3A4 | |
| SCHEMBL7448759 | 0.84 | ITGB3 (0.45) | HSD17B10CYP2C9CYP3A4ALDH1A1TSHR | |
| SCHEMBL7448765 | 0.84 | ITGB3 (0.45) | HSD17B10CYP2C9CYP3A4ALDH1A1TSHR | |
| SCHEMBL7935148 | 0.84 | ITGB3 (0.50) | KDM4EHSD17B10HPGDCYP2C9CYP3A4 | |
| SCHEMBL7935162 | 0.84 | ITGB3 (0.50) | KDM4EHSD17B10HPGDCYP2C9CYP3A4 |
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-6242600-B1 | ANTIISCHEMIC AGENTS, ANTICOAGULANTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-0970071-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998039324-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-11 | — | — | WO | disclosed |