Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 6/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | SMO | Q99835 | 1/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28225463 | 0.89 | NPC1 (0.43) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL28053874 | 0.84 | EGFR (0.62) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL28226173 | 0.83 | MAPT (0.43) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL28860919 | 0.81 | RXFP1 (0.40) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL28226165 | 0.77 | EGFR (0.40) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL28225444 | 0.77 | SIRT2 (0.41) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL16402030 | 0.77 | NPC1 (0.47) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL28226184 | 0.76 | RAB9A (0.47) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL28860832 | 0.75 | SIRT2 (0.43) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL28225483 | 0.75 | EIF4A3 (0.49) | LMNAMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105283443-B | Hete rocyclic derivatives and application thereof | 株式会社C&C新药研究所 | 2018-08-17 | — | — | CN | claimed |
| CN-105283443-B | Hete rocyclic derivatives and application thereof | 株式会社C&C新药研究所 | 2018-08-17 | — | — | CN | disclosed |
| CN-105283443-A | Heterocyclic derivatives and use thereof | C & C RES LAB | 2016-01-27 | — | — | CN | disclosed |