Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.70 |
| ▸ | NPC1 | O15118 | 8/20 | 0.70 |
| ▸ | PKM | P14618 | 3/20 | 0.70 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | PIM1 | P11309 | 1/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.59 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.59 |
| ▸ | FLT3 | P36888 | 1/20 | 0.59 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.59 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL30565139 | 0.83 | RAB9A (1.00) | RAB9ANPC1PKMGAASMN1; SMN2 | |
| SCHEMBL9750118 | 0.83 | NPC1 (0.81) | RAB9ANPC1PKMGAASMN1; SMN2 | |
| SCHEMBL11538755 | 0.81 | NPC1 (0.72) | RAB9ANPC1PKMGAASMN1; SMN2 | |
| SCHEMBL519066 | 0.81 | RAB9A (0.73) | RAB9ANPC1PKMGAASMN1; SMN2 | |
| SCHEMBL3078691 | 0.81 | RAB9A (0.73) | RAB9ANPC1PKMGAASMN1; SMN2 | |
| SCHEMBL18469876 | 0.80 | RAB9A (0.66) | RAB9ANPC1PKMGAASMN1; SMN2 | |
| SCHEMBL7006640 | 0.80 | GAA (0.79) | RAB9ANPC1PKMGAASMN1; SMN2 | |
| SCHEMBL6245092 | 0.79 | GAA (1.00) | RAB9ANPC1PKMGAASMN1; SMN2 | |
| SCHEMBL6385934 | 0.79 | RAB9A (0.70) | RAB9ANPC1PKMGAASMN1; SMN2 | |
| SCHEMBL438214 | 0.79 | RAB9A (0.70) | RAB9ANPC1PKMGAASMN1; SMN2 |
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-2011084991-A2 | FLUORINATED HDAC INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-07-14 | — | — | WO | disclosed |