Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | FBP1 | P09467 | 1/20 | 0.31 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 4/20 | 0.30 |
| ▸ | RAB9A | P51151 | 4/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL177819 | 0.98 | — | — | |
| SCHEMBL2782543 | 0.79 | CYP2E1 (0.39) | CYP2E1CYP2A6CYP2B6NPC1RAB9A | |
| SCHEMBL8094620 | 0.71 | MAPT (0.42) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL2236313 | 0.70 | KDM4E (0.41) | SMN1; SMN2MEN1TP53KMT2A | |
| SCHEMBL28253383 | 0.70 | RAB9A (0.41) | NPC1RAB9ASMN1; SMN2MAPK1MEN1 | |
| SCHEMBL2235852 | 0.70 | BRD4 (0.40) | NPC1RAB9ASMN1; SMN2TP53NFKB1 | |
| SCHEMBL3789321 | 0.70 | MAOA (0.45) | CYP3A4NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL696954 | 0.68 | KDM4E (0.40) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL8087571 | 0.67 | SMN1; SMN2 (0.44) | CYP2C9NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL3790001 | 0.67 | CYP3A4 (0.42) | CYP3A4NPC1RAB9ASMN1; SMN2MEN1 |
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-107846883-A | The solvent-free phosphorylation of selectivity | 可劳迈戴斯有限公司 | 2018-03-27 | — | — | CN | disclosed |