Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.55 |
| ▸ | HPGD | P15428 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.53 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | GGT1 | P19440 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7111180 | 0.80 | KDM4E (0.55) | KDM4EHSD17B10HPGDALDH1A1HMGB1 | |
| SCHEMBL1982429 | 0.78 | KDM4E (0.53) | KDM4EHSD17B10HPGDALDH1A1HMGB1 | |
| SCHEMBL30255502 | 0.78 | KDM4E (0.53) | KDM4EHSD17B10HPGDALDH1A1HMGB1 | |
| SCHEMBL6853273 | 0.78 | KDM4E (0.53) | KDM4EHSD17B10HPGDALDH1A1HMGB1 | |
| SCHEMBL38660686 | 0.77 | KDM4E (0.61) | KDM4EHSD17B10HPGDALDH1A1HMGB1 | |
| SCHEMBL6266872 | 0.77 | KDM4E (0.51) | KDM4EHSD17B10HPGDALDH1A1HMGB1 | |
| SCHEMBL1966422 | 0.77 | KDM4E (0.61) | KDM4EHSD17B10HPGDALDH1A1HMGB1 | |
| SCHEMBL4294796 | 0.77 | KDM4E (0.53) | KDM4EHSD17B10HPGDALDH1A1HMGB1 | |
| SCHEMBL372308 | 0.77 | ALDH1A1 (0.59) | KDM4EHSD17B10HPGDALDH1A1HMGB1 | |
| SCHEMBL29324002 | 0.77 | KDM4E (0.62) | KDM4EHSD17B10HPGDALDH1A1HMGB1 |
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-2373624-A1 | TRANSITION METAL COMPLEXES OF A BISÝTHIOHYDRAZIDE AMIDE¨COMPOUND | Synta Pharmaceuticals Corp. (US) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010048293-A1 | TRANSITION METAL COMPLEXES OF A BIS[THIOHYDRAZIDE AMIDE] COMPOUND | SYNTA PHARMACEUTICALS CORP. (US) | 2010-04-29 | — | — | WO | disclosed |