Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7917545 | 0.79 | HDAC4 (0.47) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL2562362 | 0.79 | HDAC4 (0.47) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL5073765 | 0.79 | CES2 (0.38) | CES2CES1IDO1TDO2 | |
| SCHEMBL4598932 | 0.78 | ACP3 (0.44) | MGLLAOC3CYP1A2 | |
| SCHEMBL3712912 | 0.76 | TSHR (0.48) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL5520949 | 0.76 | HDAC4 (0.47) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL11279836 | 0.76 | CES2 (0.51) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL167914 | 0.76 | HDAC4 (0.44) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL1723875 | 0.76 | ESR1 (0.44) | CYP3A4 | |
| SCHEMBL16794983 | 0.76 | FAAH (0.36) | FAAHMGLLCYP3A4CYP2D6 |
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 |