Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | KMO | O15229 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 3/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | LSS | P48449 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 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 | |
|---|---|---|---|---|
| SCHEMBL824010 | 0.86 | KMO (0.41) | ALDH1A1DYRK1BCRHR1GABRA1GABRB2 | |
| SCHEMBL3045105 | 0.76 | CDK5 (0.58) | EGFRNPC1RAB9AMEN1KMT2A | |
| SCHEMBL3045102 | 0.73 | JAK2 (0.49) | EGFRJAK2FLT3 | |
| SCHEMBL823934 | 0.71 | ABL1 (0.47) | EGFRJAK2FLT3 | |
| SCHEMBL823895 | 0.67 | KMO (0.41) | ALDH1A1GABRA1GABRB2ALOX5CNR2 | |
| SCHEMBL823894 | 0.63 | KMO (0.50) | KMODYRK1ACLK4MEN1KMT2A | |
| SCHEMBL28261027 | 0.61 | CYP1A2 (0.54) | ALDH1A1HTR7CLK4KDM4ENPC1 | |
| SCHEMBL251558 | 0.61 | GABRA1 (0.71) | ALDH1A1GABRA1GABRB2ALOX5CNR2 | |
| SCHEMBL19048677 | 0.58 | HTR2A (0.39) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL3044785 | 0.58 | KMO (0.55) | ALDH1A1HTR7KMODYRK1ACLK4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007058628-A1 | HETEROALKYL LINKED PYRIMIDINE DERIVATIVES | S*BIO PTE LTD (SG) | 2007-05-24 | — | — | WO | disclosed |