Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | FKBP1A | P62942 | 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 | |
|---|---|---|---|---|
| SCHEMBL8633374 | 0.95 | AVPR2 (0.52) | AVPR2MAPTTP53LMNATHRB | |
| SCHEMBL8634053 | 0.92 | AVPR2 (0.41) | AVPR2MAPTCASP3CASP7TP53 | |
| SCHEMBL8627677 | 0.89 | AVPR2 (0.38) | AVPR2MAPTTP53LMNA | |
| SCHEMBL8627190 | 0.87 | AVPR2 (0.42) | AVPR2MAPTTP53NR3C1 | |
| SCHEMBL8634668 | 0.87 | AVPR2 (0.51) | AVPR2MAPTCASP3CASP7TP53 | |
| SCHEMBL8629473 | 0.85 | AVPR2 (0.51) | AVPR2MAPTTP53LMNAESR1 | |
| SCHEMBL8627401 | 0.84 | AVPR2 (0.39) | AVPR2MAPTTP53LMNA | |
| SCHEMBL8633371 | 0.84 | AVPR2 (0.49) | AVPR2MAPTTP53LMNATHRB | |
| SCHEMBL8634463 | 0.83 | KMT2A (0.35) | MAPTTP53 | |
| SCHEMBL4684124 | 0.81 | AVPR2 (0.49) | AVPR2CASP3CASP7FKBP1A |
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 |