Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.54 |
| ▸ | RAB9A | P51151 | 6/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | NAMPT | P43490 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29111598 | 0.84 | GAA (0.43) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL3964486 | 0.81 | NOTUM (0.48) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL5764836 | 0.77 | PARP1 (0.44) | GAAL3MBTL1ADORA3ADORA1ADORA2A | |
| SCHEMBL23320550 | 0.76 | NPC1 (0.57) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL5077845 | 0.76 | MEN1 (0.57) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL15910787 | 0.76 | MAPT (0.57) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL29028801 | 0.76 | NPC1 (0.57) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL2979520 | 0.74 | ESR2 (0.62) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL3436679 | 0.73 | MAPT (0.56) | MAPTALDH1A1KDM4EHSD17B10NOTUM | |
| SCHEMBL17112018 | 0.73 | MAPT (0.55) | NPC1RAB9AMAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106456582-A | TrkA kinase inhibitors, compositions and methods thereof | 默沙东公司 | 2017-02-22 | — | — | CN | disclosed |