Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.58 |
| ▸ | RAB9A | P51151 | 7/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.44 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23220346 | 0.89 | NPC1 (0.67) | NPC1RAB9AMEN1KMT2AHDAC6 | |
| SCHEMBL12015939 | 0.84 | NPC1 (0.73) | NPC1RAB9AMEN1KMT2AHDAC6 | |
| SCHEMBL6154268 | 0.83 | HSD17B1 (0.58) | NPC1RAB9AMEN1KMT2AHDAC6 | |
| SCHEMBL28573293 | 0.83 | HDAC6 (0.65) | NPC1RAB9AMEN1KMT2AHDAC6 | |
| SCHEMBL28593202 | 0.83 | NPC1 (0.59) | NPC1RAB9AMEN1KMT2AHDAC6 | |
| SCHEMBL29367007 | 0.82 | NPC1 (0.58) | NPC1RAB9AMEN1KMT2AHDAC6 | |
| SCHEMBL28593204 | 0.82 | NPC1 (0.58) | NPC1RAB9AMEN1KMT2AHDAC6 | |
| SCHEMBL6154099 | 0.82 | ROCK2 (0.62) | NPC1RAB9AMEN1KMT2AHDAC6 | |
| SCHEMBL6153968 | 0.80 | KDM4E (0.52) | NPC1RAB9AMEN1KMT2AROCK1 | |
| SCHEMBL27879285 | 0.78 | NPC1 (0.51) | NPC1RAB9AMEN1KMT2AHDAC6 |
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-2593106-A1 | ORGANIC COMPOUNDS | Rockefeller University (US) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012009688-A1 | ORGANIC COMPOUNDS | ROCKEFELLER UNIVERSITY (US) | 2012-01-19 | — | — | WO | disclosed |