Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL955230 | 0.92 | ACE2 (0.48) | GAAL3MBTL1ACE2KMT2AMAPT | |
| SCHEMBL954495 | 0.89 | CNR1 (0.42) | L3MBTL1KMT2AMAPTCNR2CNR1 | |
| SCHEMBL16310085 | 0.77 | TUBB (0.43) | L3MBTL1KMT2AMAPTCNR2CNR1 | |
| SCHEMBL953774 | 0.75 | ACE2 (0.53) | ACE2KMT2AKDRFLT3KDM1A | |
| SCHEMBL955617 | 0.73 | ACE2 (0.48) | ACE2KMT2AKDRFLT3KDM1A | |
| SCHEMBL3945944 | 0.73 | ACE2 (0.50) | ACE2KMT2AKDRFLT3KDM1A | |
| SCHEMBL3728268 | 0.72 | MAPT (0.36) | MAPTCNR1POLB | |
| SCHEMBL5945710 | 0.72 | CNR2 (0.54) | GAAL3MBTL1ACE2KMT2ACNR2 | |
| SCHEMBL4441493 | 0.71 | EGFR (0.49) | GAAACE2KMT2AMAPTRAB9A | |
| SCHEMBL954427 | 0.69 | MAPT (0.55) | GAAACE2KMT2AMAPTTSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046330-A2 | PHARMACEUTICAL COMBINATIONS | Astex Therapeutics Limited (GB) | 2009-04-15 | — | — | EP | disclosed |
| 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 |
| WO-2008007122-A2 | COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S | ASTEX THERAPEUTICS LIMITED (GB) | 2008-01-17 | — | — | WO | disclosed |