Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | USP2 | O75604 | 6/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | FAAH | O00519 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4036584 | 0.81 | USP2 (0.49) | ALDH1A1USP2CYP2C19CYP2D6OPRD1 | |
| SCHEMBL4003459 | 0.77 | CYP2C9 (0.56) | ALDH1A1CYP2C19SMN1; SMN2CYP2C9LMNA | |
| SCHEMBL5668948 | 0.76 | CYP2C19 (0.46) | ALDH1A1USP2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL4002997 | 0.76 | CYP2C9 (0.47) | ALDH1A1CYP2C19SMN1; SMN2CYP2C9 | |
| SCHEMBL5668375 | 0.76 | MEN1 (0.45) | ALDH1A1USP2OPRD1SMN1; SMN2LMNA | |
| SCHEMBL18862012 | 0.76 | FAAH (0.77) | ALDH1A1CYP2D6SMN1; SMN2NPC1FAAH | |
| SCHEMBL5666076 | 0.75 | KMT2A (0.48) | SMN1; SMN2FAAHOPRK1LMNA | |
| SCHEMBL4001759 | 0.74 | KMT2A (0.42) | ALDH1A1CYP2C19CYP2D6CYP3A4SMN1; SMN2 | |
| SCHEMBL5668605 | 0.74 | MEN1 (0.46) | ALDH1A1OPRD1SMN1; SMN2LMNA | |
| SCHEMBL5666405 | 0.74 | CYP3A4 (0.58) | ALDH1A1USP2CYP2C19CYP3A4SMN1; SMN2 |
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-1730144-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS | Grünenthal GmbH (DE) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005095398-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS | Grünenthal GmbH (DE) | 2005-10-13 | — | — | WO | disclosed |