Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | STAT1 | P42224 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28391271 | 0.92 | CES2 (0.54) | CES2CES1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL11565461 | 0.77 | CES2 (0.52) | CES2CES1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL11330505 | 0.77 | CES2 (0.52) | CES2CES1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL14788587 | 0.77 | MEN1 (0.43) | CES2CES1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL11330511 | 0.77 | CES2 (0.52) | CES2CES1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL11565456 | 0.77 | CES2 (0.52) | CES2CES1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL11341677 | 0.77 | CES2 (0.52) | CES2CES1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL11341700 | 0.73 | CES2 (0.47) | CES2CES1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL11342501 | 0.73 | HTT (0.49) | CES2CES1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL11342499 | 0.73 | HTT (0.49) | CES2CES1SMN1; SMN2RAB9ANPC1 |
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-107445913-B | Fluorescent material containing β -diketone structure and preparation and application thereof | 武汉大学 | 2020-04-24 | — | — | CN | disclosed |