Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9710026 | 1.00 | CES2 (0.54) | CES2CES1DAOGSK3BNPC1 | |
| SCHEMBL9709882 | 0.82 | DAO (0.59) | CES2CES1DAOGSK3BNPC1 | |
| SCHEMBL9709878 | 0.82 | DAO (0.59) | CES2CES1DAOGSK3BNPC1 | |
| SCHEMBL28465227 | 0.80 | CES2 (0.54) | CES2CES1DAOGSK3BNPC1 | |
| SCHEMBL28085692 | 0.77 | HPGD (0.50) | CES2CES1DAONPC1RAB9A | |
| SCHEMBL1883541 | 0.77 | CES2 (0.74) | CES2CES1DAOGSK3BNPC1 | |
| SCHEMBL1813 | 0.76 | — | — | |
| SCHEMBL31478147 | 0.75 | RAB9A (0.56) | CES2CES1DAONPC1RAB9A | |
| SCHEMBL6199324 | 0.75 | — | — | |
| SCHEMBL27587621 | 0.75 | CES2 (0.58) | CES2CES1DAOGSK3BNPC1 |
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-1992020689-A1 | ANTIBACTERIAL PENEM DERIVATIVES | SMITHKLINE BEECHAM P.L.C. (GB) | 1992-11-26 | — | — | WO | disclosed |