Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SELL | P14151 | 1/20 | 0.39 |
| ▸ | SELP | P16109 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | HAAO | P46952 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.37 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.37 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28363838 | 0.82 | CYP1A2 (0.52) | KDM4EALDH1A1HPGDCYP3A4KMT2A | |
| SCHEMBL400759 | 0.80 | NOTUM (0.43) | CYP3A4CYP2C9KMT2AHAAONOTUM | |
| SCHEMBL3107355 | 0.79 | NOTUM (0.40) | KDM4EALDH1A1HPGDHSD17B10KMT2A | |
| SCHEMBL1478873 | 0.77 | TDP1 (0.44) | KDM4EALDH1A1HPGDHSD17B10HAAO | |
| SCHEMBL398481 | 0.76 | RXRB (0.44) | KDM4EALDH1A1HPGDHSD17B10HAAO | |
| SCHEMBL9943824 | 0.76 | GRIA4 (0.50) | KDM4EALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL857301 | 0.76 | ALDH1A1 (0.65) | KDM4EALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL30083685 | 0.76 | ALDH1A1 (0.65) | KDM4EALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL1352723 | 0.76 | KDM4E (0.55) | KDM4EALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL2650251 | 0.74 | CSNK2A1 (0.44) | ALDH1A1KMT2ASELLSELPMCL1 |
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-1968579-A1 | PHARMACEUTICAL COMPOUNDS | Astex Therapeutics Limited (GB) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007077435-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2007-07-12 | — | — | WO | disclosed |