Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 6/20 | 0.59 |
| ▸ | PDE4A | P27815 | 1/20 | 0.59 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.59 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.59 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | SPTLC2 | O15270 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7245141 | 0.86 | AVPR2 (0.62) | AVPR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7022992 | 0.85 | AVPR2 (0.61) | AVPR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7024124 | 0.84 | AVPR2 (0.60) | AVPR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7027005 | 0.84 | AVPR2 (0.59) | AVPR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7238694 | 0.81 | PDE4A (0.56) | AVPR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7017018 | 0.80 | AVPR2 (0.54) | AVPR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL14307268 | 0.77 | PDE4A (0.74) | PDE4APDE4BPDE4CPDE4DNR3C1 | |
| SCHEMBL13317243 | 0.75 | PDE4A (0.61) | AVPR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3623469 | 0.75 | PDE4A (0.61) | PDE4APDE4BPDE4CPDE4DNR3C1 | |
| SCHEMBL29941834 | 0.74 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DMAPT |
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-6642223-B2 | A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2003-11-04 | — | — | US | claimed |