Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAT2A | P31153 | 9/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.32 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155118 | 0.89 | NPC1 (0.40) | MAT2ANPC1ALDH1A1KDM4ETSHR | |
| SCHEMBL20155066 | 0.80 | MAT2A (0.34) | MAT2A | |
| SCHEMBL30975393 | 0.74 | — | — | |
| SCHEMBL20155093 | 0.74 | MAT2A (0.36) | MAT2A | |
| SCHEMBL20155529 | 0.71 | CNR2 (0.40) | NPC1ALDH1A1KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL20155045 | 0.71 | ALDH1A1 (0.39) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL20155115 | 0.69 | ADORA3 (0.50) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL20155133 | 0.68 | ADORA2A (0.37) | — | |
| SCHEMBL25103101 | 0.68 | NPC1 (0.42) | MAT2ANPC1ALDH1A1KDM4ETSHR | |
| SCHEMBL20155003 | 0.67 | BRD4 (0.36) | MAT2AL3MBTL1 |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |