Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20705573 | 0.75 | MEN1 (0.46) | SMN1; SMN2NPC1RAB9AL3MBTL1MEN1 | |
| SCHEMBL8180605 | 0.71 | NOS3 (0.53) | SMN1; SMN2NPC1RAB9AGAAMEN1 | |
| SCHEMBL20705574 | 0.70 | PARP14 (0.37) | SMN1; SMN2NPC1RAB9AMEN1POLB | |
| SCHEMBL14752838 | 0.69 | NPSR1 (0.55) | RAB9AL3MBTL1MEN1POLBKMT2A | |
| SCHEMBL14388812 | 0.68 | TDP1 (0.59) | SMN1; SMN2NPC1RAB9AGAAL3MBTL1 | |
| SCHEMBL18897146 | 0.67 | POLB (0.59) | SMN1; SMN2NPC1RAB9AGAAL3MBTL1 | |
| SCHEMBL29014922 | 0.66 | SIRT1 (0.47) | SMN1; SMN2RAB9AMEN1POLBKMT2A | |
| SCHEMBL6773339 | 0.66 | NPSR1 (0.56) | NPC1RAB9AGAAL3MBTL1POLB | |
| SCHEMBL21740942 | 0.65 | SMN1; SMN2 (0.66) | SMN1; SMN2NPC1RAB9APOLBTP53 | |
| SCHEMBL25016093 | 0.65 | HDAC3 (0.55) | TRPV1NPC1RAB9AGAAPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3138838-A1 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | Dana-Farber Cancer Institute, Inc. (US) | 2017-03-08 | — | — | EP | disclosed |