Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | KCNQ3 | O43525 | 4/20 | 0.46 |
| ▸ | KCNQ2 | O43526 | 4/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22231515 | 0.85 | CA12 (0.54) | CES2CES1KCNQ3KCNQ2TAS1R3 | |
| SCHEMBL31366876 | 0.85 | CA12 (0.54) | CES2CES1KCNQ3KCNQ2TAS1R3 | |
| SCHEMBL532190 | 0.82 | CES2 (0.53) | CES2CES1KCNQ3KCNQ2TAS1R3 | |
| SCHEMBL8374746 | 0.80 | NPC1 (0.51) | HDAC1MEN1NPC1GAARAB9A | |
| SCHEMBL12988882 | 0.79 | L3MBTL1 (0.57) | CES2CES1HDAC1GAAKMT2A | |
| SCHEMBL5317183 | 0.79 | CES2 (0.53) | CES2CES1KCNQ3KCNQ2TAS1R3 | |
| SCHEMBL22824475 | 0.78 | CHRNA1 (0.49) | CES2CES1KCNQ3KCNQ2TAS1R3 | |
| SCHEMBL28310210 | 0.77 | NR1H4 (0.58) | TAS1R3TAS1R1MEN1NPC1GAA | |
| SCHEMBL3513760 | 0.77 | CES2 (0.52) | CES2CES1KCNQ3KCNQ2HDAC1 | |
| SCHEMBL342843 | 0.77 | KDM4E (0.56) | CES2CES1KCNQ3KCNQ2KCNQ5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102946879-B | Protease inhibitor and application of gallium complex in preparation of medicine for treating proliferative diseases | NIIKI PHARMA INC | 2015-04-22 | — | — | CN | disclosed |
| WO-2011090940-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. (US) | 2011-07-28 | — | — | WO | disclosed |