Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | FLT1 | P17948 | 1/20 | 0.33 |
| ▸ | FLT4 | P35916 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8634457 | 0.93 | TP53 (0.34) | AVPR2DRD4ALDH1A1TP53GAA | |
| SCHEMBL8630392 | 0.91 | ALDH1A1 (0.34) | ALDH1A1LMNATP53GAAMAPT | |
| SCHEMBL8629470 | 0.89 | AVPR2 (0.50) | AVPR2LMNATP53MAPT | |
| SCHEMBL8627674 | 0.85 | AVPR2 (0.38) | AVPR2DRD4ALDH1A1LMNATP53 | |
| SCHEMBL8634049 | 0.84 | AVPR2 (0.42) | AVPR2TP53GAAMAPTSMN1; SMN2 | |
| SCHEMBL8634460 | 0.78 | MAPT (0.36) | DRD4ALDH1A1TP53GAAMAPT | |
| SCHEMBL8630394 | 0.77 | ALDH1A1 (0.34) | ALDH1A1LMNATP53GAAMAPT | |
| SCHEMBL8627398 | 0.77 | AVPR2 (0.37) | AVPR2ALDH1A1LMNAGAAMAPT | |
| SCHEMBL8630678 | 0.77 | AVPR2 (0.38) | AVPR2ALDH1A1LMNAMAPTRAB9A | |
| SCHEMBL8627401 | 0.76 | AVPR2 (0.39) | AVPR2DRD4ALDH1A1LMNATP53 |
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 |