Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.32 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2803444 | 0.85 | CDK2 (0.37) | CDK2ALDH1A1LMNAHCAR2 | |
| SCHEMBL3940057 | 0.82 | ALDH1A1 (0.46) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL4450271 | 0.81 | HDAC1 (0.53) | CDK2ALDH1A1CCNA2HSD17B10TSHR | |
| SCHEMBL3938054 | 0.81 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNAMEN1KMT2A | |
| SCHEMBL3937442 | 0.80 | CFTR (0.35) | HSD17B10HDAC1ADORA3HDAC3KCNQ3 | |
| SCHEMBL3942467 | 0.80 | CDK2 (0.48) | CDK2CCNA2HDAC1LMNAMEN1 | |
| SCHEMBL4343632 | 0.80 | LRRK2 (0.36) | ALDH1A1HPGDMAPK1 | |
| SCHEMBL959184 | 0.80 | CDK2 (0.58) | CDK2ALDH1A1CCNA2MEN1KMT2A | |
| SCHEMBL3937668 | 0.79 | ATM (0.55) | ALDH1A1HDAC3TDP1LMNAHPGD | |
| SCHEMBL3939511 | 0.79 | LMNA (0.48) | ALDH1A1TSHRHDAC1TDP1LMNA |
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-2049106-A2 | PHARMACEUTICAL COMBINATIONS | Astex Therapeutics Limited (GB) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008007113-A2 | PHARMACEUTICAL COMBINATIONS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-01-17 | — | — | WO | disclosed |