Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | NPFFR1 | Q9GZQ6 | 2/20 | 0.35 |
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL16686996 | 1.00 | ALDH1A1 (0.40) | ALDH1A1KDM4EL3MBTL1NPFFR1NPFFR2 | |
| SCHEMBL16684607 | 0.80 | ALDH1A1 (0.42) | ALDH1A1KDM4EL3MBTL1HTTPOLB | |
| SCHEMBL16684604 | 0.80 | CYP2A6 (0.42) | ALDH1A1KDM4EPOLBCA12CA1 | |
| SCHEMBL16693146 | 0.80 | ALDH1A1 (0.42) | ALDH1A1KDM4EL3MBTL1HTTPOLB | |
| SCHEMBL16684606 | 0.80 | ALDH1A1 (0.42) | ALDH1A1KDM4EL3MBTL1HTTPOLB | |
| SCHEMBL16684707 | 0.76 | ALDH1A1 (0.49) | ALDH1A1KDM4EL3MBTL1HTTPOLB | |
| SCHEMBL16684706 | 0.76 | ALDH1A1 (0.49) | ALDH1A1KDM4EL3MBTL1HTTPOLB | |
| SCHEMBL23241583 | 0.70 | TP53 (0.46) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL2447368 | 0.70 | NPFFR1 (0.43) | ALDH1A1KDM4EL3MBTL1NPFFR1NPFFR2 | |
| SCHEMBL2447369 | 0.70 | NPFFR1 (0.43) | ALDH1A1KDM4EL3MBTL1NPFFR1NPFFR2 |
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 |