Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4596765 | 0.86 | ALDH1A1 (0.48) | PARP1MAOAMAOBHTR1AALDH1A1 | |
| SCHEMBL4595113 | 0.82 | POLB (0.35) | ALDH1A1POLBKDM4EPKMNPSR1 | |
| SCHEMBL4230647 | 0.79 | AQP1 (0.43) | POLBTRPV1NFKB1NFKB2RELA | |
| SCHEMBL10852030 | 0.76 | PARP1 (0.54) | PARP1MAOAMAOBHTR1AALDH1A1 | |
| SCHEMBL4712948 | 0.72 | BRD4 (0.44) | PARP1MAOAMAOBHTR1ANPSR1 | |
| SCHEMBL4595480 | 0.71 | PARP1 (0.43) | PARP1MAOAMAOBHTR1A | |
| SCHEMBL8339959 | 0.71 | PARP1 (0.49) | PARP1MAOAMAOBPOLB | |
| SCHEMBL4230624 | 0.70 | ENPP3 (0.36) | ALDH1A1POLBKDM4ENPSR1 | |
| SCHEMBL4595292 | 0.70 | AQP1 (0.44) | PARP1MAOAMAOBHTR1A | |
| SCHEMBL11039537 | 0.70 | PARP1 (0.54) | PARP1MAOAMAOBHTR1AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1874750-A1 | DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS | Wyeth Incoporated (US) | 2008-01-09 | — | — | EP | disclosed |