Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.55 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 5/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | USP14 | P54578 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 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 | |
|---|---|---|---|---|
| SCHEMBL12228102 | 0.85 | CTSK (0.51) | CTSKKCNA3DRD2CCR5HSD11B1 | |
| SCHEMBL2226210 | 0.84 | CTSK (0.50) | CTSKKCNA3DRD2CCR5HSD11B1 | |
| SCHEMBL2223734 | 0.83 | CTSK (0.49) | CTSKKCNA3DRD2CCR5HSD11B1 | |
| SCHEMBL6923881 | 0.81 | CTSK (0.60) | CTSKKCNA3DRD2CCR5HSD11B1 | |
| SCHEMBL1560161 | 0.81 | CTSK (0.50) | CTSKKCNA3DRD2CCR5HSD11B1 | |
| SCHEMBL620002 | 0.80 | CTSK (0.49) | CTSKKCNA3DRD2CCR5HSD11B1 | |
| SCHEMBL2225060 | 0.79 | KCNA3 (0.61) | CTSKKCNA3DRD2CCR5HSD11B1 | |
| SCHEMBL3489553 | 0.79 | CTSK (0.45) | CTSKKCNA3DRD2CCR5HSD11B1 | |
| SCHEMBL27460572 | 0.78 | CTSK (0.55) | CTSKKCNA3DRD2CCR5HSD11B1 | |
| SCHEMBL3965693 | 0.78 | CTSK (0.55) | CTSKKCNA3DRD2CCR5HSD11B1 |
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-2523957-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. Hoffmann-La Roche AG (CH) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011086053-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | disclosed |