Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 3/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.30 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | VNN1 | O95497 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20749378 | 0.85 | CDK6 (0.41) | BRAFKCNQ3KCNQ2HDAC3HDAC2 | |
| SCHEMBL14716226 | 0.82 | BRAF (0.52) | BRAF | |
| SCHEMBL14829805 | 0.78 | HSD17B14 (0.39) | NPC1RAB9AMGLLTDP1 | |
| SCHEMBL18627722 | 0.77 | RAB9A (0.40) | NPC1KDM4ERAB9AHTTBRAF | |
| SCHEMBL18627635 | 0.76 | CDK6 (0.43) | BRAFKCNQ3KCNQ2HDAC3HDAC2 | |
| SCHEMBL14716059 | 0.76 | SLC40A1 (0.43) | BRAFMEN1KMT2AALDH1A1 | |
| SCHEMBL14716241 | 0.76 | BRAF (0.47) | BRAF | |
| SCHEMBL14716257 | 0.74 | BRAF (0.57) | BRAF | |
| SCHEMBL14716062 | 0.74 | CYP3A4 (0.47) | BRAFSMN1; SMN2HDAC3HDAC2 | |
| SCHEMBL14716086 | 0.73 | BRAF (0.51) | BRAF |
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-2747767-B1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA INC (US) | 2019-02-20 | — | — | EP | disclosed |