Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.43 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | SELE | P16581 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.32 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 0.30 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8758380 | 0.74 | KDM4E (0.46) | KDM4EALDH1A1MAPTHPGDHTT | |
| SCHEMBL7906499 | 0.71 | SREBF2 (0.33) | KDM4EALDH1A1MAPTHPGDCYP1A2 | |
| SCHEMBL2550475 | 0.70 | KDM4E (0.53) | KDM4EALDH1A1MAPTHPGDPPARG | |
| SCHEMBL14672298 | 0.70 | NEK1 (0.51) | KDM4EALDH1A1MAPTHPGDPPARG | |
| SCHEMBL16858854 | 0.67 | NEK1 (0.51) | KDM4EALDH1A1MAPTHPGDPPARG | |
| SCHEMBL16858872 | 0.66 | NEK1 (0.52) | KDM4EALDH1A1MAPTHPGDPPARG | |
| SCHEMBL16858702 | 0.65 | NEK1 (0.53) | — | |
| SCHEMBL2554662 | 0.65 | NEK1 (0.53) | KDM4EALDH1A1MAPTHPGDPPARG | |
| SCHEMBL14672255 | 0.65 | NEK1 (0.53) | — | |
| SCHEMBL16858717 | 0.65 | NEK1 (0.53) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |