Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.38 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1080742 | 0.81 | CA12 (0.45) | PARP1KDM4ELMNAMAPT | |
| SCHEMBL16956709 | 0.80 | PTGS1 (0.49) | CES2CES1PARP1MAOBHDAC1 | |
| SCHEMBL17868855 | 0.78 | PARP1 (0.44) | PARP1HDAC6GPR52MEN1KMT2A | |
| SCHEMBL17868848 | 0.78 | PARP1 (0.44) | PARP1MAOAMAOBMEN1KMT2A | |
| SCHEMBL17868850 | 0.78 | C1S (0.44) | PARP1KDM4ENPC1MAPTHPGD | |
| SCHEMBL17868844 | 0.78 | HDAC1 (0.36) | HDAC1RAB9A | |
| SCHEMBL14192031 | 0.77 | CES2 (0.50) | CES2CES1PARP1MAOAMAOB | |
| SCHEMBL9843296 | 0.77 | CES2 (0.50) | CES2CES1PARP1MAOAMAOB | |
| SCHEMBL17868843 | 0.76 | MAOA (0.52) | CES2CES1MAOAMAOBNPC1 | |
| SCHEMBL30680 | 0.76 | MAOA (0.48) | MAOAMAOBLMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-20160186217-A1 | METHOD FOR BIOCATALYTIC SYNTHESIS OF SUBSTITUTED OR UNSUBSTITUTED PHENYLACETIC ACIDS AND KETONES HAVING ENZYMES OF MICROBIAL STYRENE DEGRADATION | TECHNISCHE UNIVERSITAT BERGAKADEMIE FREIBERG (DE) | 2016-06-30 | — | — | US | disclosed |