Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 12/20 | 0.54 |
| ▸ | OXTR | P30559 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5578837 | 0.78 | NOTUM (0.50) | CYP2D6NOTUMROCK2ROCK1 | |
| SCHEMBL4759451 | 0.77 | AVPR1A (0.59) | AVPR1AOXTRNR4A2 | |
| SCHEMBL5137944 | 0.74 | SMN1; SMN2 (0.40) | CYP2D6NOTUMROCK2ROCK1 | |
| SCHEMBL5137219 | 0.74 | AVPR1A (0.39) | AVPR1ACYP2D6NOTUMROCK2ROCK1 | |
| SCHEMBL14366457 | 0.73 | HDAC1 (0.57) | NOTUMROCK2ROCK1 | |
| SCHEMBL4822866 | 0.73 | AVPR1A (0.40) | AVPR1ACYP2D6NOTUMROCK2ROCK1 | |
| SCHEMBL5137426 | 0.72 | CNR1 (0.42) | AVPR1ACYP2D6ROCK2ROCK1 | |
| SCHEMBL1572534 | 0.71 | NOTUM (0.63) | NOTUMROCK2ROCK1 | |
| SCHEMBL30232786 | 0.71 | NOTUM (0.63) | NOTUMROCK2ROCK1 | |
| SCHEMBL10253494 | 0.71 | NOTUM (0.44) | CYP2D6NOTUMROCK2ROCK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1904477-A1 | INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007006688-A1 | INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-18 | — | — | WO | disclosed |