Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.35 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7998453 | 0.84 | KDM4E (0.54) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL7123504 | 0.79 | ALDH1A1 (0.33) | KDM4EALDH1A1HPGDTSHRPDE3B | |
| SCHEMBL11708730 | 0.75 | BRD4 (0.46) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL9527144 | 0.74 | KDM4E (0.50) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL388362 | 0.74 | ALDH1A1 (0.69) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL6113045 | 0.74 | KDM4E (0.64) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL4036037 | 0.74 | ALDH1A1 (0.50) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL11115887 | 0.72 | KDM4E (0.49) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL3987174 | 0.72 | KDM4E (0.67) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL3958125 | 0.72 | KDM4E (0.60) | KDM4EALDH1A1HPGDGLAGAA |
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 |