Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 12/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.38 |
| ▸ | GRM7 | Q14831 | 3/20 | 0.38 |
| ▸ | GRM8 | O00222 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2803397 | 0.89 | SMN1; SMN2 (0.46) | KDRGRM1SMN1; SMN2MEN1NPC1 | |
| SCHEMBL955497 | 0.84 | SMN1; SMN2 (0.48) | KDRGRM1SMN1; SMN2MEN1NPC1 | |
| SCHEMBL4450271 | 0.79 | HDAC1 (0.53) | SMN1; SMN2MEN1NPC1MAPTRAB9A | |
| SCHEMBL3944173 | 0.77 | NAMPT (0.38) | GRM1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL3942467 | 0.77 | CDK2 (0.48) | KDRMEN1MAPTRAB9AKMT2A | |
| SCHEMBL3939511 | 0.76 | LMNA (0.48) | SMN1; SMN2MEN1NPC1MAPTRAB9A | |
| SCHEMBL3936265 | 0.76 | KMT2A (0.47) | SMN1; SMN2MEN1NPC1MAPTRAB9A | |
| SCHEMBL4442926 | 0.75 | CDK2 (0.44) | MEN1MAPTKMT2ACYP1A2 | |
| SCHEMBL4343632 | 0.75 | LRRK2 (0.36) | NPC1 | |
| SCHEMBL2799890 | 0.74 | KMT2A (0.53) | SMN1; SMN2MEN1NPC1MAPTRAB9A |
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-2046327-A1 | MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS | Astex Therapeutics Limited (GB) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008009954-A1 | MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-01-24 | — | — | WO | disclosed |