Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KCNJ5 | P48544 | 3/20 | 0.46 |
| ▸ | KCNJ3 | P48549 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8558766 | 0.88 | KMT2A (0.46) | ROCK2 | |
| SCHEMBL8559196 | 0.85 | THRB (0.55) | KCNJ5KCNJ3THRB | |
| SCHEMBL7340964 | 0.85 | KCNJ5 (0.48) | KCNJ5KCNJ3THRBROCK2KCNQ2 | |
| SCHEMBL8556372 | 0.85 | KCNJ5 (0.51) | KCNJ5KCNJ3THRBKCNQ2 | |
| SCHEMBL8557995 | 0.83 | KCNJ5 (0.47) | KCNJ5KCNJ3THRBKCNQ2 | |
| SCHEMBL8557426 | 0.80 | NPC1 (0.49) | — | |
| SCHEMBL8312692 | 0.79 | AVPR2 (0.47) | KCNJ5KCNJ3THRBROCK2 | |
| SCHEMBL7344569 | 0.79 | AVPR2 (0.65) | — | |
| SCHEMBL8563337 | 0.79 | AVPR2 (0.51) | KCNJ5KCNJ3THRB | |
| SCHEMBL8317730 | 0.79 | AVPR1A (0.47) | KCNJ5KCNJ3THRBKCNQ2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0640592-B1 | N-acylated tricyclic azaheterorings useful as vasopressin antagonists | AMERICAN CYANAMID CO (US) | 1998-12-30 | — | — | EP | disclosed |