Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | PYGL | P06737 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8627671 | 0.93 | AVPR2 (0.37) | TP53MAPTALDH1A1GAAMEN1 | |
| SCHEMBL8634049 | 0.90 | AVPR2 (0.42) | TP53MAPTGAAAVPR2SCN5A | |
| SCHEMBL8634460 | 0.85 | MAPT (0.36) | TP53MAPTKCNMA1ALDH1A1POLB | |
| SCHEMBL8630392 | 0.85 | ALDH1A1 (0.34) | TP53MAPTALDH1A1GAAMEN1 | |
| SCHEMBL8629470 | 0.84 | AVPR2 (0.50) | TP53MAPTAVPR2SCN5ASCN9A | |
| SCHEMBL8627674 | 0.79 | AVPR2 (0.38) | TP53MAPTALDH1A1GAAMEN1 | |
| SCHEMBL8627536 | 0.77 | KCNMA1 (0.35) | TP53MAPTKCNMA1ALDH1A1POLB | |
| SCHEMBL8629506 | 0.77 | KCNMA1 (0.36) | TP53MAPTKCNMA1ALDH1A1POLB | |
| SCHEMBL8627538 | 0.76 | KCNMA1 (0.36) | TP53MAPTKCNMA1ALDH1A1POLB | |
| SCHEMBL8629507 | 0.76 | KCNMA1 (0.36) | TP53MAPTKCNMA1ALDH1A1POLB |
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 |