Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.33 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 2/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL12975421 | 0.83 | ALDH1A1 (0.40) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL27496098 | 0.72 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL16693107 | 0.71 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL1853930 | 0.71 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL29951004 | 0.66 | PTGS2 (0.43) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL10620281 | 0.66 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL28325589 | 0.66 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL11493108 | 0.65 | PTGS2 (0.36) | ALDH1A1HSD17B10TDP1PTGS2PTGES | |
| SCHEMBL7262493 | 0.65 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL7265427 | 0.65 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1PTGS2KDM4E |
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 |