Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | HPGD | P15428 | 1/20 | 0.71 |
| ▸ | RECQL | P46063 | 1/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.71 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | HTR7 | P34969 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.59 |
| ▸ | MMP2 | P08253 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL13593277 | 0.92 | KDM4E (0.62) | KDM4ECYP3A4CYP2C9HPGDRECQL | |
| SCHEMBL13827637 | 0.85 | MEN1 (0.61) | KDM4ECYP3A4CYP2C9HPGDRECQL | |
| SCHEMBL7491437 | 0.84 | KDM4E (0.59) | KDM4ECYP3A4CYP2C9HPGDRECQL | |
| SCHEMBL31475491 | 0.84 | KDM4E (0.56) | KDM4ECYP3A4CYP2C9HPGDRECQL | |
| SCHEMBL7362098 | 0.83 | KDM4E (1.00) | KDM4ECYP3A4CYP2C9HPGDRECQL | |
| SCHEMBL13149796 | 0.83 | ALDH1A1 (0.76) | KDM4ECYP3A4CYP2C9HPGDRECQL | |
| SCHEMBL26296970 | 0.81 | KDM4E (0.60) | KDM4ECYP3A4CYP2C9HPGDRECQL | |
| SCHEMBL21987036 | 0.81 | HTR7 (0.60) | KDM4ECYP3A4CYP2C9HPGDRECQL | |
| SCHEMBL14973024 | 0.81 | KDM4E (0.60) | KDM4EHTTHTR7MEN1KMT2A | |
| SCHEMBL22864356 | 0.81 | KDM4E (0.60) | KDM4ERECQLHSD17B10HTTHTR7 |
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 |