Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.42 |
| ▸ | CES1 | P23141 | 4/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.39 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.39 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6466321 | 0.94 | ROCK2 (0.44) | CES2CES1DGAT1PARP10PARP15 | |
| SCHEMBL6466316 | 0.94 | ROCK2 (0.44) | CES2CES1DGAT1PARP10PARP15 | |
| SCHEMBL5670138 | 0.89 | PARP10 (0.39) | CES2CES1DGAT1PARP10PARP15 | |
| SCHEMBL4191551 | 0.86 | HTR1A (0.42) | CES2CES1DGAT1PARP10PARP15 | |
| SCHEMBL10449035 | 0.82 | MAPT (0.38) | DGAT1PARP10PARP15PARP1MAPK1 | |
| SCHEMBL28182486 | 0.79 | DGAT1 (0.36) | CES2CES1DGAT1PARP10PARP15 | |
| SCHEMBL31069789 | 0.79 | PARP10 (0.41) | PARP10PARP15SCN9AMAPK1 | |
| SCHEMBL1116601 | 0.79 | ABCB1 (0.41) | CES2CES1PARP1BCHE | |
| SCHEMBL27652684 | 0.78 | ROCK2 (0.43) | DGAT1PARP10PARP15HTR1ASCN9A | |
| SCHEMBL813186 | 0.75 | MEN1 (0.46) | PARP10PARP15PARP1 |
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-2010111626-A2 | POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-30 | — | — | WO | disclosed |