Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.31 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.31 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.31 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16693190 | 0.80 | KDM4E (0.37) | CYP17A1ALDH1A1KDM4E | |
| SCHEMBL16693235 | 0.80 | APP (0.33) | CYP17A1 | |
| SCHEMBL16693150 | 0.77 | CYP2A6 (0.42) | KIF11CYP2A6ALDH1A1KDM4EPTGS2 | |
| SCHEMBL3046361 | 0.75 | CYP2A6 (0.43) | KIF11CYP2A6ALDH1A1KDM4EPTGS2 | |
| SCHEMBL17345173 | 0.74 | KIF11 (0.53) | KIF11CYP2A6AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL16693081 | 0.74 | CYP2A6 (0.42) | KIF11CYP2A6CYP17A1ALDH1A1KDM4E | |
| SCHEMBL18791161 | 0.74 | LMNA (0.38) | KIF11CYP17A1KDM4E | |
| SCHEMBL3407569 | 0.74 | CYP2A6 (0.39) | CYP2A6CYP17A1MAOB | |
| SCHEMBL14093011 | 0.71 | KIF11 (0.45) | KIF11CYP17A1ALDH1A1KDM4E | |
| SCHEMBL472408 | 0.70 | KIF11 (0.56) | KIF11CYP2A6AKR1C3AKR1C2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015066371-A1 | SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS | FORUM PHARMACEUTICALS, INC. (US) | 2015-05-07 | — | — | WO | disclosed |