Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | FADS1 | O60427 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | FABP4 | P15090 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27597105 | 0.80 | CD44 (0.52) | HDAC1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL2849268 | 0.79 | GAA (0.38) | HDAC1FADS1KMT2AMEN1NPC1 | |
| SCHEMBL27615938 | 0.78 | KDR (0.44) | KMT2AMEN1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL5242446 | 0.77 | HDAC1 (0.44) | HDAC1FADS1KMT2AMEN1NPC1 | |
| SCHEMBL2353023 | 0.77 | AAK1 (0.40) | HDAC1HTTHDAC2CA2 | |
| SCHEMBL27597171 | 0.76 | CD44 (0.52) | HDAC1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL22637106 | 0.76 | HDAC1 (0.39) | HDAC1KDM4EHSD17B10ALDH1A1HDAC2 | |
| SCHEMBL22636593 | 0.75 | KDR (0.44) | HDAC1KMT2AMEN1RAB9ALMNA | |
| SCHEMBL22636961 | 0.75 | GAA (0.41) | HDAC1KMT2AMEN1LMNAHTT | |
| SCHEMBL6610509 | 0.75 | GAA (0.37) | HDAC1KMT2ANPC1SMN1; SMN2KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2222645-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-09-01 | — | — | EP | disclosed |
| CN-100497333-C | Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders | HOFFMANN LA ROCHE (CH) | 2009-06-10 | — | — | CN | disclosed |
| WO-2009062874-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-05-22 | — | — | WO | disclosed |
| CN-1633430-A | Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders | HOFFMANN LA ROCHE (CH) | 2005-06-29 | — | — | CN | disclosed |