Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 2/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 6/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 6/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 6/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 6/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8634375 | 0.87 | MAPT (0.37) | AVPR2PDK1PDK2PDK3PDK4 | |
| SCHEMBL8628980 | 0.81 | AVPR2 (0.47) | AVPR2PDK1PDK2PDK3PDK4 | |
| SCHEMBL8628397 | 0.74 | IDO1 (0.33) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL8629470 | 0.71 | AVPR2 (0.50) | AVPR2LMNA | |
| SCHEMBL8628984 | 0.68 | AVPR2 (0.46) | AVPR2PDK1PDK2PDK3PDK4 | |
| Iodide SCHEMBL8634376 | 0.68 | KDM4E (0.38) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL8628503 | 0.65 | AVPR2 (0.39) | AVPR2PDK1PDK2PDK3PDK4 | |
| SCHEMBL8634049 | 0.65 | AVPR2 (0.42) | AVPR2 | |
| SCHEMBL8629473 | 0.65 | AVPR2 (0.51) | AVPR2NOTUMLMNA | |
| SCHEMBL4685307 | 0.65 | AVPR2 (0.45) | AVPR2TSHRALDH1A1HTTBRD4 |
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-5753644-A | Vasopressin antagonist and oxytocin antagonist | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |