Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.78 |
| ▸ | RAB9A | P51151 | 6/20 | 0.78 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.78 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.78 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.71 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.71 |
| ▸ | RELA | Q04206 | 1/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL14757138 | 0.88 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1 | |
| SCHEMBL14757351 | 0.86 | NPC1 (0.76) | NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1 | |
| SCHEMBL14757328 | 0.83 | NPC1 (0.76) | NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1 | |
| SCHEMBL14757347 | 0.83 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1 | |
| SCHEMBL11352589 | 0.83 | NPC1 (0.76) | NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1 | |
| SCHEMBL11352592 | 0.83 | NPC1 (0.76) | NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1 | |
| SCHEMBL14757140 | 0.81 | NPC1 (0.73) | NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1 | |
| SCHEMBL14757244 | 0.81 | NPC1 (0.77) | NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1 | |
| SCHEMBL14757348 | 0.80 | NPC1 (0.75) | NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1 | |
| SCHEMBL14741705 | 0.80 | NPC1 (0.75) | NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1 |
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-2013032907-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER STEM CELLS | THE BROAD INSTITUTE, INC. (US) | 2013-03-07 | — | — | WO | disclosed |