Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13002176 | 0.83 | CES2 (0.52) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL11159920 | 0.82 | POLB (0.67) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL11159914 | 0.82 | POLB (0.67) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL18962593 | 0.81 | CES2 (0.48) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL3765207 | 0.77 | TSHR (0.43) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL3765212 | 0.77 | TSHR (0.43) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL2796483 | 0.77 | PARP1 (0.50) | PARP1POLBKMT2AMEN1LMNA | |
| SCHEMBL2796488 | 0.77 | PARP1 (0.50) | PARP1POLBKMT2AMEN1LMNA | |
| SCHEMBL3056544 | 0.76 | CES2 (0.63) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL16559369 | 0.75 | CES2 (0.56) | CES2CES1PARP1HDAC1HDAC6 |
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-1446202-A | 2-aminopyridine compounds and use thereof as drugs | EISAI CO LTD (JP) | 2003-10-01 | — | — | CN | disclosed |