Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.37 |
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16552586 | 0.92 | ACHE (0.39) | ACHEBCHESCN9ACYP19A1CYP1A2 | |
| SCHEMBL16552712 | 0.91 | ULK1 (0.38) | ACHEBCHEPTK2SCN9ACYP19A1 | |
| SCHEMBL16552886 | 0.91 | ACHE (0.39) | HTR2CACHEBCHECYP19A1HTR2A | |
| SCHEMBL21887762 | 0.89 | ACHE (0.46) | ACHEBCHEACVR1NCF1CYP19A1 | |
| SCHEMBL16552698 | 0.84 | ACHE (0.46) | EPHX2ACHEBCHENCF1PDE4D | |
| SCHEMBL22212700 | 0.84 | ACVR1 (0.35) | HTR2CACHEBCHEACVR1ALK | |
| SCHEMBL16558731 | 0.79 | ACHE (0.49) | ACHEBCHECYP19A1HTR2APDE4D | |
| SCHEMBL16552907 | 0.79 | ACHE (0.46) | ACHEBCHECYP19A1PDE4D | |
| SCHEMBL16552816 | 0.79 | SSTR4 (0.40) | ACHEBCHEPTK2PDE4D | |
| SCHEMBL16558732 | 0.79 | ACHE (0.48) | ACHEBCHECYP19A1PDE4D |
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 |
|---|---|---|---|---|---|---|---|
| EP-3044223-B1 | 2,3-DIHYDRO-1H-INDEN-1-ONE DERIVATIVES AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA) ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS | ARRIEN PHARMACEUTICALS LLC (US) | 2020-04-01 | — | — | EP | disclosed |