Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | NEK2 | P51955 | 1/20 | 0.47 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CD44 | P16070 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9614284 | 0.76 | CHEK1 (0.50) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL9566860 | 0.76 | MAPT (0.46) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL29707613 | 0.75 | CHEK1 (0.60) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL113870 | 0.75 | CHEK1 (0.60) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL29922382 | 0.74 | CHEK1 (0.79) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL2886998 | 0.74 | CHEK1 (0.79) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL31689542 | 0.74 | CHEK1 (0.79) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL2886968 | 0.74 | CYP3A4 (0.59) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL2015386 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6378551 | 0.73 | CHEK1 (0.58) | CHEK1NEK2LIMK1DYRK1ACLK4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6307087-B1 | USE OF CATALYSTS COMPRISING THESE LIGANDS IN TRANSITION METAL-CATALYZED CARBON-HETEROATOM AND CARBON-CARBON BOND-FORMING REACTIONS. | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2001-10-23 | — | — | US | disclosed |