Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 3/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11922306 | 0.87 | ATR (0.46) | ATRPLAUGRM5KDM4EALDH1A1 | |
| SCHEMBL1585556 | 0.77 | MAP4K1 (0.39) | ATRPLAUGRM5MEN1KMT2A | |
| Dimethylformamide SCHEMBL27784235 | 0.74 | ATR (0.32) | ATRGRM5KDM4EALDH1A1ALOX15 | |
| SCHEMBL28150098 | 0.72 | ATR (0.42) | ATRPLAUGRM5KDM4EALDH1A1 | |
| SCHEMBL410727 | 0.72 | ATR (0.58) | ATRGRM5KDM4EALDH1A1TDP1 | |
| SCHEMBL14471555 | 0.72 | PDPK1 (0.45) | ATRPLAUGRM5KDM4EALDH1A1 | |
| SCHEMBL30206297 | 0.71 | GRM5 (0.42) | PLAUGRM5KDM4EALDH1A1TDP1 | |
| SCHEMBL1674128 | 0.71 | GRM5 (0.42) | PLAUGRM5KDM4EALDH1A1TDP1 | |
| SCHEMBL21195742 | 0.71 | KMT2A (0.40) | ATRGRM5KDM4EALDH1A1TDP1 | |
| SCHEMBL25399004 | 0.70 | NPSR1 (0.47) | ATRPLAUGRM5KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102665718-A | Heterocyclic compounds useful as pdk1 inhibitors | BIOGEN IDEC INC | 2012-09-12 | — | — | CN | disclosed |