Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL17706563 | 0.73 | KDM4E (0.45) | KDM4EHSD17B10ALDH1A1HPGDPTPN1 | |
| SCHEMBL27693258 | 0.70 | HSD17B10 (0.41) | KDM4EHSD17B10ALDH1A1HPGDPTPN1 | |
| SCHEMBL16265058 | 0.69 | KDM4E (0.59) | KDM4EHSD17B10ALDH1A1HPGDPTPN1 | |
| SCHEMBL8685106 | 0.69 | ALDH1A1 (0.41) | KDM4EHSD17B10ALDH1A1HPGDPTPN1 | |
| SCHEMBL9693906 | 0.68 | TDP1 (0.48) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL27465233 | 0.66 | NOS3 (0.41) | KDM4EHSD17B10ALDH1A1HPGDPTPN1 | |
| SCHEMBL2059537 | 0.66 | KDM4E (0.71) | KDM4EHSD17B10ALDH1A1HPGDPTPN1 | |
| SCHEMBL5865887 | 0.65 | KDM4E (0.41) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL16450253 | 0.64 | KDM4E (0.53) | KDM4EHSD17B10ALDH1A1HPGDPTPN1 | |
| SCHEMBL15174454 | 0.64 | NOS3 (0.39) | KDM4EALDH1A1SMN1; SMN2HTTMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5721259-A | Method of using 2-formylpyridine thiosemicarbazone compounds | YALE UNIVERSITY (US) | 1998-02-24 | — | — | US | disclosed |
| EP-0570294-B1 | 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents | UNIV YALE (US) | 1997-07-30 | — | — | EP | disclosed |
| US-5281715-A | 2-formylpyridine thiosemicarbazone compounds | YALE UNIVERSITY (US) | 1994-01-25 | — | — | US | disclosed |
| EP-0570294-A1 | 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents | YALE UNIVERSITY (US) | 1993-11-18 | — | — | EP | disclosed |