Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | NEK2 | P51955 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.33 |
| ▸ | COMT | P21964 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL173272 | 0.78 | AKR1B1 (0.39) | CHEK1CDK8NEK2LIMK1COMT | |
| SCHEMBL254830 | 0.78 | AKR1B1 (0.38) | HTR6CHEK1CDK8NEK2LIMK1 | |
| SCHEMBL159667 | 0.77 | JAK2 (0.43) | HTR6LIMK1KDR | |
| SCHEMBL177328 | 0.76 | AURKA (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15366464 | 0.75 | JAK2 (0.38) | HTR6CHEK1CDK8NEK2LIMK1 | |
| SCHEMBL165435 | 0.75 | GRK6 (0.39) | HTR6MAPTKDM4EMEN1KMT2A | |
| SCHEMBL166680 | 0.74 | NR1H2 (0.38) | HTR6MAPTMEN1KMT2ACYP3A4 | |
| SCHEMBL174447 | 0.74 | CHEK1 (0.37) | HTR6CHEK1CDK8NEK2LIMK1 | |
| SCHEMBL178180 | 0.74 | AURKA (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19PIK3CD | |
| SCHEMBL15366689 | 0.73 | SOD1 (0.48) | MAPTCOMTKDM4EMEN1KMT2A |
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-2663553-A2 | QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF | Ambit Biosciences Corporation (US) | 2013-11-20 | — | — | EP | disclosed |
| WO-2012030944-A2 | QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2012-03-08 | — | — | WO | disclosed |