Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 2/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3260145 | 0.95 | AURKA (0.50) | AURKACNR1GPR55PTGS2KDM4E | |
| SCHEMBL3390010 | 0.90 | RAB9A (0.49) | AURKAPTGS2KDM4ERAB9ANPC1 | |
| SCHEMBL11824863 | 0.83 | FABP3 (0.51) | AURKAPTGS2KDM4EPTGESDRD2 | |
| SCHEMBL17156406 | 0.81 | NPC1 (0.40) | AURKAKDM4ERAB9ANPC1DRD2 | |
| SCHEMBL3261603 | 0.78 | AURKA (0.53) | AURKACNR1GPR35GPR55PTGS2 | |
| SCHEMBL11825032 | 0.78 | KDM4E (0.54) | AURKAPTGS2KDM4ERAB9APTGES | |
| SCHEMBL11829096 | 0.77 | MAP4K4 (0.47) | AURKAKDM4ERAB9ANPC1PTGES | |
| SCHEMBL11765733 | 0.76 | NPC1 (0.68) | KDM4ERAB9ANPC1CHEK1EGFR | |
| SCHEMBL28718188 | 0.75 | PTGS2 (0.64) | AURKACNR1GPR35GPR55PTGS2 | |
| SCHEMBL11765171 | 0.74 | RAB9A (0.62) | AURKACNR1GPR35GPR55PTGS2 |
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-2010015657-A2 | NEW ALKOXYPYRAZOLES | INSTITUT PASTEUR (FR) | 2010-02-11 | — | — | WO | disclosed |