Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 8/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 2/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3914967 | 0.82 | FAAH (0.52) | ALDH1A1CYP2D6CYP2C19CYP3A4FAAH | |
| SCHEMBL5666697 | 0.81 | ALDH1A1 (0.52) | USP2ALDH1A1CYP2D6CYP2C19CYP3A4 | |
| SCHEMBL2934172 | 0.78 | CYP2C9 (0.53) | ALDH1A1CYP2C19SMN1; SMN2CYP2C9LMNA | |
| SCHEMBL2943403 | 0.78 | CYP2C19 (0.44) | USP2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL2941843 | 0.78 | CYP2C9 (0.45) | ALDH1A1CYP2C19SMN1; SMN2CYP2C9 | |
| SCHEMBL2932813 | 0.77 | MEN1 (0.43) | ALDH1A1SMN1; SMN2OPRD1LMNA | |
| SCHEMBL4037689 | 0.77 | KMT2A (0.46) | SMN1; SMN2FAAHLMNA | |
| SCHEMBL4036735 | 0.76 | MAPT (0.43) | USP2ALDH1A1CYP2D6CYP2C19CYP3A4 | |
| SCHEMBL2943099 | 0.76 | CRBN (0.47) | CYP2C19SMN1; SMN2ALOX15 | |
| SCHEMBL2938912 | 0.76 | CYP3A4 (0.42) | ALDH1A1CYP2D6CYP2C19CYP3A4SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1730144-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-10 | — | — | EP | claimed |