Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | FURIN | P09958 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5804631 | 0.79 | CES2 (0.52) | CES2CES1PTGS1PTGS2PARP1 | |
| SCHEMBL5804634 | 0.79 | CES2 (0.52) | CES2CES1PTGS1PTGS2PARP1 | |
| SCHEMBL17008402 | 0.78 | NPC1 (0.50) | PARP1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL18620052 | 0.77 | PARP1 (0.52) | CES2CES1PTGS1PTGS2PARP1 | |
| SCHEMBL28128094 | 0.77 | PARP1 (0.52) | CES2CES1PTGS1PTGS2PARP1 | |
| SCHEMBL14667522 | 0.76 | G6PC1 (0.57) | MAPTKMT2ANPC1RAB9AMEN1 | |
| SCHEMBL7373897 | 0.76 | G6PC1 (0.57) | MAPTKMT2ANPC1RAB9AMEN1 | |
| SCHEMBL2615559 | 0.76 | G6PC1 (0.57) | MAPTKMT2ANPC1RAB9AMEN1 | |
| SCHEMBL8761571 | 0.73 | CES2 (0.60) | CES2CES1PTGS1PTGS2PARP1 | |
| SCHEMBL16955426 | 0.71 | CES2 (0.58) | CES2CES1PTGS1PTGS2PARP1 |
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-2012151525-A9 | NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES | RHIZEN PHARMACEUTICALS SA (CH) | 2012-12-13 | — | — | WO | disclosed |