Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 6/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11930850 | 0.85 | PTPN11 (0.38) | PTPN11HRH4 | |
| SCHEMBL14051055 | 0.82 | HRH4 (0.39) | HRH4 | |
| SCHEMBL14050815 | 0.77 | TSHR (0.41) | ALDH1A1HPGDPTPN11MAPTCYP1A2 | |
| SCHEMBL14545937 | 0.77 | ADORA2A (0.42) | ALDH1A1HPGDNPSR1ADORA2AMAPT | |
| SCHEMBL11930845 | 0.68 | CHEK1 (0.45) | CHEK1CCNA2CDK2CCNA1HRH4 | |
| SCHEMBL15393818 | 0.66 | CHEK1 (0.39) | CHEK1CCNA2CDK2CCNA1HRH4 | |
| SCHEMBL11930833 | 0.65 | HRH4 (0.47) | PTPN11HRH4CSNK2A1 | |
| SCHEMBL14539517 | 0.64 | KDR (0.38) | ALDH1A1HPGDNPSR1ADORA2ACHEK1 | |
| SCHEMBL13617800 | 0.64 | ABL1 (0.38) | ALDH1A1HPGDNPSR1ADORA2AMAPT | |
| SCHEMBL15393819 | 0.64 | CHEK1 (0.41) | CHEK1CCNA2CDK2CCNA1HRH4 |
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-2009061781-A1 | NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS | SCHERING CORPORATION (US) | 2009-05-14 | — | — | WO | disclosed |