Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.60 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5360487 | 1.00 | CYP2A6 (0.60) | CYP2A6CA12CA1CA2CA9 | |
| SCHEMBL15930269 | 0.83 | CYP2A6 (0.64) | CYP2A6CA12CA1CA2CA9 | |
| SCHEMBL14370918 | 0.80 | CYP2A6 (0.60) | CYP2A6CA12CA1CA2CA9 | |
| SCHEMBL6811378 | 0.77 | CYP2A6 (0.50) | CYP2A6CA12CA1CA2CA9 | |
| SCHEMBL6811377 | 0.77 | CYP2A6 (0.50) | CYP2A6CA12CA1CA2CA9 | |
| SCHEMBL12757025 | 0.76 | CYP2A6 (0.55) | CYP2A6CA12CA1CA2CA9 | |
| SCHEMBL8996553 | 0.75 | CYP2A6 (0.64) | CYP2A6CA12CA1CA2CA9 | |
| SCHEMBL30076672 | 0.75 | CYP2A6 (1.00) | CYP2A6CA12CA1CA2CA9 | |
| SCHEMBL40953 | 0.75 | CYP2A6 (1.00) | CYP2A6CA12CA1CA2CA9 | |
| SCHEMBL11708827 | 0.75 | CYP2A6 (0.64) | CYP2A6CA12CA1CA2CA9 |
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 |