Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM2 | P50570 | 2/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18636563 | 0.89 | DNM2 (0.54) | DNM2AURKAHRH4CDK1CCNB1 | |
| SCHEMBL17103026 | 0.87 | DNM2 (0.60) | DNM2AURKAALDH1A1CDK1CCNB1 | |
| SCHEMBL10188164 | 0.84 | EGFR (0.49) | DNM2AURKAHRH4CDK1CCNB1 | |
| SCHEMBL29402899 | 0.81 | EGFR (0.51) | AURKAHRH4ALDH1A1CDK1CCNB1 | |
| SCHEMBL807297 | 0.81 | EGFR (0.51) | AURKAHRH4ALDH1A1CDK1CCNB1 | |
| SCHEMBL18636555 | 0.80 | HRH4 (0.54) | DNM2AURKAHRH4CDK1CCNB1 | |
| SCHEMBL20929509 | 0.80 | CYP1A2 (0.54) | AURKAALDH1A1HTTSCN9AHCAR3 | |
| SCHEMBL30138398 | 0.80 | CYP1A2 (0.54) | AURKAALDH1A1HTTSCN9AHCAR3 | |
| SCHEMBL13467358 | 0.79 | HRH4 (0.40) | DNM2AURKAHRH4ALDH1A1CDK1 | |
| SCHEMBL2231653 | 0.79 | DNM2 (0.48) | DNM2AURKAKDR |
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-1758892-B1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2012-10-17 | — | — | EP | disclosed |
| WO-2012001107-A1 | PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-05 | — | — | WO | disclosed |