Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 8/20 | 0.48 |
| ▸ | DRD3 | P35462 | 8/20 | 0.48 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2555229 | 1.00 | DRD2 (0.48) | DRD2DRD3USP30TP53HCRTR2 | |
| SCHEMBL2545974 | 0.83 | DRD2 (0.52) | DRD2DRD3USP30CYP2D6TSHR | |
| SCHEMBL4875328 | 0.81 | DRD2 (0.67) | DRD2DRD3USP30CYP2D6TSHR | |
| SCHEMBL7717574 | 0.80 | PRKCI (0.41) | BRAF | |
| SCHEMBL2476454 | 0.78 | SLC6A2 (0.51) | TP53GRIN2B | |
| SCHEMBL2476457 | 0.78 | SLC6A2 (0.51) | TP53GRIN2B | |
| SCHEMBL26857547 | 0.78 | AKR1C3 (0.62) | DRD2DRD3USP30CYP2D6TSHR | |
| SCHEMBL2512984 | 0.78 | AKR1C3 (0.56) | GRIN2BKMT2AIDO1 | |
| SCHEMBL2512986 | 0.78 | AKR1C3 (0.56) | GRIN2BKMT2AIDO1 | |
| SCHEMBL28728225 | 0.78 | DRD2 (0.59) | DRD2DRD3USP30HCRTR2CYP2D6 |
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-2552919-A1 | ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. Hoffmann-La Roche AG (CH) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011120877-A1 | ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-06 | — | — | WO | disclosed |