Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5012966 | 0.95 | POLB (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL5012809 | 0.93 | KMT2A (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL16175664 | 0.93 | POLB (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL5014461 | 0.92 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL5124255 | 0.87 | TRPM8 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL5012259 | 0.87 | CYP3A4 (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4 | |
| SCHEMBL16175697 | 0.86 | TRPM8 (0.39) | L3MBTL1KMT2AMEN1 | |
| SCHEMBL5012816 | 0.86 | FPR1 (0.40) | KMT2A | |
| SCHEMBL16175752 | 0.85 | KMT2A (0.42) | TSHRKMT2AMEN1 | |
| SCHEMBL16175740 | 0.85 | RAB9A (0.43) | CYP1A2CYP2D6CYP2C19KDM4EKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1888596-B1 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2014-10-22 | — | — | EP | claimed |
| EP-1888596-A1 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | claimed |
| WO-2006122770-A1 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS | Grünenthal GmbH (DE) | 2006-11-23 | — | — | WO | claimed |
| EP-1888596-B1 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2014-10-22 | — | — | EP | disclosed |