Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK7 | P50613 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | CCNH | P51946 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | CSF1R | P07333 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28054618 | 0.83 | CDK1 (0.40) | CDK1CCNB1CCNE1CDK2CCNT1 | |
| SCHEMBL22089840 | 0.75 | DRD2 (0.41) | DRD2DRD3 | |
| SCHEMBL5058415 | 0.72 | DRD2 (0.59) | MEN1ALDH1A1MAPTKMT2ADRD2 | |
| SCHEMBL28054609 | 0.71 | SMN1; SMN2 (0.54) | MEN1ALDH1A1MAPTMAPK1KMT2A | |
| SCHEMBL27680908 | 0.69 | IDO1 (0.40) | MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL27682784 | 0.68 | NPC1 (0.41) | ABCG2MEN1ALDH1A1MAPTMAPK1 | |
| SCHEMBL27892250 | 0.68 | ABCC1 (0.45) | CDK1CCNB1CCNE1CDK2CCNT1 | |
| SCHEMBL1336667 | 0.66 | CHRNB4 (0.45) | — | |
| SCHEMBL27949769 | 0.66 | HTT (0.49) | CCNT1CDK9MEN1ALDH1A1MAPT | |
| SCHEMBL2325497 | 0.65 | — | — |
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-102958921-B | Urea compound, preparation method thereof, intermediate thereof and application thereof | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2016-03-23 | — | — | CN | disclosed |