Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 7/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.54 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.54 |
| ▸ | PDE3B | Q13370 | 5/20 | 0.54 |
| ▸ | PDE3A | Q14432 | 5/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29696584 | 0.90 | PDE4A (0.56) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL28458467 | 0.90 | PDE4A (0.56) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL8390890 | 0.84 | HTR6 (0.48) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL28458542 | 0.82 | ESR1 (0.48) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL29696619 | 0.82 | ESR1 (0.48) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL28462417 | 0.81 | CNR2 (0.48) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL28454854 | 0.81 | TP53 (0.52) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL29696587 | 0.81 | TP53 (0.52) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL29696606 | 0.81 | CNR2 (0.48) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL28466760 | 0.78 | HTR6 (0.46) | PDE4APDE4BPDE4CPDE4DPDE3B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995026723-A1 | NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS | INTERNEURON PHARMACEUTICALS, INC. (US) | 1995-10-12 | — | — | WO | claimed |
| US-5580878-A | TREATING SLEEP DISORDERS | INTERNEURON PHARMACEUTICALS, INC. (US) | 1996-12-03 | — | — | US | disclosed |
| WO-1995026723-A1 | NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS | INTERNEURON PHARMACEUTICALS, INC. (US) | 1995-10-12 | — | — | WO | disclosed |
| US-5403851-A | Central nervous system and psychological disorders | INTERNEURON PHARMACEUTICALS, INC. (US) | 1995-04-04 | — | — | US | disclosed |