Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL14341667 | 0.85 | CYP2A6 (0.55) | CYP2A6TP53TDP1ALDH1A1ESR1 | |
| SCHEMBL16693081 | 0.81 | CYP2A6 (0.42) | CYP2A6TDP1ALDH1A1MAPTPTGS1 | |
| SCHEMBL16693082 | 0.77 | CYP2A6 (0.42) | CYP2A6ALDH1A1MAPTPKMPTGS1 | |
| SCHEMBL16693133 | 0.77 | CYP2A6 (0.42) | CYP2A6ALDH1A1MAPTPKMPTGS1 | |
| SCHEMBL4420015 | 0.75 | CYP2A6 (0.58) | CYP2A6ALDH1A1MAPTPTGS1PTGS2 | |
| SCHEMBL424317 | 0.74 | CYP2A6 (0.48) | CYP2A6TP53TDP1ALDH1A1MAPT | |
| SCHEMBL28073641 | 0.72 | PKM (0.39) | TP53TDP1ALDH1A1MAPTPKM | |
| SCHEMBL13950998 | 0.71 | CYP2A6 (0.46) | CYP2A6ALDH1A1MAPTCHRNA7HTR3A | |
| SCHEMBL2095399 | 0.71 | CYP2A6 (0.46) | CYP2A6TP53TDP1ALDH1A1MAPT | |
| SCHEMBL2092747 | 0.71 | CYP2A6 (0.71) | CYP2A6TP53MAPTLMNA |
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 |