Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.44 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | CLPP | Q16740 | 1/20 | 0.41 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL6436620 | 0.84 | CYP2D6 (0.51) | CYP2D6APPHTR1A | |
| SCHEMBL3277742 | 0.83 | CYP2D6 (0.48) | CYP2D6MEN1KMT2APTGER2DRD2 | |
| SCHEMBL3276408 | 0.83 | CYP2D6 (0.51) | CYP2D6MEN1KMT2APTGER2DRD2 | |
| SCHEMBL18734068 | 0.80 | PTGER2 (0.52) | CYP2D6APPPTGER2SIRT2HTR1A | |
| SCHEMBL22512823 | 0.79 | MEN1 (0.44) | TDP1KDM4EMEN1KMT2AAPP | |
| SCHEMBL12451410 | 0.76 | CYP1A2 (0.51) | SMN1; SMN2TDP1CYP2D6KDM4EHTR1A | |
| SCHEMBL578335 | 0.75 | SMN1; SMN2 (0.70) | SMN1; SMN2TDP1MBTD1L3MBTL3KDM4E | |
| SCHEMBL18706621 | 0.74 | SIRT2 (0.44) | SMN1; SMN2TDP1MBTD1L3MBTL3KDM4E | |
| SCHEMBL18706622 | 0.74 | SIRT2 (0.44) | SMN1; SMN2TDP1MBTD1L3MBTL3KDM4E | |
| SCHEMBL17160816 | 0.74 | SMN1; SMN2 (0.68) | SMN1; SMN2TDP1MBTD1L3MBTL3KDM4E |
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-2017060854-A1 | BIARYL PYRAZOLES AS NRF2 REGULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-04-13 | — | — | WO | disclosed |