Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
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) | PARP1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL16959098 | 0.80 | HTT (0.44) | PARP1MAOAMAOBERCC5FEN1 | |
| SCHEMBL28604413 | 0.79 | PARP1 (0.48) | PARP1MAOAMAOBERCC5FEN1 | |
| SCHEMBL9055041 | 0.79 | PARP1 (0.48) | PARP1MAOAMAOBERCC5FEN1 | |
| SCHEMBL17868850 | 0.78 | C1S (0.44) | PARP1HPGDPOLBALDH1A1GAA | |
| SCHEMBL17868844 | 0.78 | HDAC1 (0.36) | RAB9A | |
| SCHEMBL17868855 | 0.78 | PARP1 (0.44) | PARP1HPGDPOLBMEN1KMT2A | |
| SCHEMBL17868853 | 0.78 | CES2 (0.47) | PARP1MAOAMAOBHPGDHTT | |
| SCHEMBL21783054 | 0.77 | PARP1 (0.47) | PARP1MAOAMAOBERCC5FEN1 | |
| SCHEMBL2015776 | 0.77 | MAOA (0.48) | PARP1MAOAMAOBERCC5FEN1 |
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 |