Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 3/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.33 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL15998481 | 1.00 | DRD3 (0.44) | DRD3DRD2CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL18513114 | 1.00 | DRD3 (0.44) | DRD3DRD2CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL9870758 | 0.88 | — | — | |
| SCHEMBL24661958 | 0.88 | — | — | |
| SCHEMBL24662678 | 0.88 | — | — | |
| SCHEMBL24789538 | 0.84 | HRH3 (0.39) | DRD3DRD2CYP2D6KDM4E | |
| SCHEMBL16625964 | 0.82 | BCHE (0.44) | DRD3DRD2CYP2D6TSHRNFKB1 | |
| SCHEMBL27282850 | 0.79 | PIK3CD (0.39) | KDM4EL3MBTL3 | |
| SCHEMBL27281627 | 0.79 | PIK3CD (0.39) | KDM4EL3MBTL3 | |
| SCHEMBL27284616 | 0.79 | PIK3CD (0.39) | KDM4EL3MBTL3 |
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-2017089390-A1 | JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-01 | — | — | WO | disclosed |