Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 6/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4822866 | 0.88 | AVPR1A (0.40) | AVPR1ACYP2D6ROCK2ROCK1AKT1 | |
| SCHEMBL5137426 | 0.86 | CNR1 (0.42) | AVPR1AADRA1DCYP2D6ROCK2ROCK1 | |
| SCHEMBL4359444 | 0.76 | AVPR1A (0.59) | AVPR1AADRA1DSLC22A12TACR3MEN1 | |
| SCHEMBL14268287 | 0.75 | AVPR1A (0.46) | AVPR1AADRA1DKDM4ETACR3 | |
| SCHEMBL5137944 | 0.75 | SMN1; SMN2 (0.40) | CYP2D6ROCK2ROCK1HDAC1HDAC6 | |
| SCHEMBL5138464 | 0.74 | AVPR1A (0.54) | AVPR1ACYP2D6ROCK2ROCK1NOTUM | |
| SCHEMBL4359328 | 0.73 | AVPR1A (0.70) | AVPR1A | |
| SCHEMBL4361148 | 0.73 | AVPR1A (0.57) | AVPR1ACYP2D6 | |
| SCHEMBL8251835 | 0.73 | AVPR1A (0.48) | AVPR1AADRA1DSLC22A12TACR3MEN1 | |
| SCHEMBL4759234 | 0.71 | AVPR1A (0.41) | AVPR1AMEN1GAAKMT2A |
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 |