Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 13/20 | 0.69 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5951109 | 0.81 | ACHE (0.50) | ACHE | |
| SCHEMBL5952934 | 0.80 | ACHE (0.51) | ACHEHTR2AHTR2CHTR2BNOTUM | |
| SCHEMBL15746282 | 0.78 | ACHE (1.00) | ACHEHTR2AHTR2CHTR2BKDM4E | |
| SCHEMBL5952726 | 0.78 | ACHE (0.59) | ACHEHTR2AHTR2CHTR2B | |
| SCHEMBL4730233 | 0.78 | ACHE (0.43) | ACHEHTR2AHTR2CHTR2BNOTUM | |
| SCHEMBL2417918 | 0.76 | ACHE (0.42) | ACHEHTR2AHTR2CHTR2BALDH1A1 | |
| SCHEMBL5953386 | 0.75 | ACHE (0.68) | ACHEKDM4EALDH1A1 | |
| SCHEMBL5951627 | 0.74 | ACHE (0.76) | ACHEHTR2AHTR2CHTR2BKDM4E | |
| SCHEMBL5952986 | 0.74 | ACHE (0.76) | ACHEHTR2AHTR2CHTR2BKDM4E | |
| SCHEMBL5952485 | 0.74 | ACHE (0.69) | ACHEHTR2AHTR2CHTR2BKDM4E |
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-3680237-A1 | PROCESS FOR PREPARING SUBSTITUTED 2,3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS | Arrien Pharmaceuticals LLC (US) | 2020-07-15 | — | — | EP | disclosed |
| 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 |