Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
| ▸ | CASR | P41180 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | KLK1 | P06870 | 1/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | FPGS | Q05932 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL6688643 | 0.90 | FOLH1 (0.38) | HDAC1HDAC6FOLH1CASRGAA | |
| SCHEMBL6018132 | 0.89 | HDAC1 (0.41) | HDAC1HDAC6CXCR4GAAMAPT | |
| SCHEMBL6682711 | 0.89 | CXCR4 (0.40) | HDAC1FOLH1CXCR4CASRDHFR | |
| SCHEMBL6019671 | 0.88 | CXCR4 (0.49) | HDAC1HDAC6FOLH1CXCR4CASR | |
| SCHEMBL6018574 | 0.86 | CXCR4 (0.51) | HDAC1FOLH1CXCR4CASRDHFR | |
| SCHEMBL6687483 | 0.85 | CXCR4 (0.40) | FOLH1CXCR4CASRDHFRTYMS | |
| SCHEMBL6686504 | 0.85 | CXCR4 (0.41) | HDAC1FOLH1CXCR4CASRDHFR | |
| SCHEMBL6685578 | 0.84 | FOLH1 (0.41) | HDAC1HDAC6FOLH1CASRGAA | |
| SCHEMBL6017948 | 0.82 | HDAC1 (0.45) | HDAC1HDAC6FOLH1CXCR4GAA | |
| SCHEMBL6687885 | 0.82 | FOLH1 (0.41) | HDAC1HDAC6FOLH1CASRMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1389460-A1 | CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND | Kureha Chemical Industry Co., Ltd. (JP) | 2004-02-18 | — | — | EP | disclosed |
| EP-1273571-A1 | NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME | Kureha Chemical Industry Co., Ltd. (JP) | 2003-01-08 | — | — | EP | disclosed |