Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.62 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | BRS3 | P32247 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.35 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | GCK | P35557 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1384813 | 0.77 | NOTUM (1.00) | NOTUMMAP2K1ALDH1A1HSD17B10GCK | |
| SCHEMBL5674033 | 0.76 | NOTUM (0.67) | NOTUMMAP2K1ALDH1A1NPC1RAB9A | |
| SCHEMBL7369068 | 0.76 | NOTUM (0.67) | NOTUMMAP2K1ALDH1A1BRS3GCK | |
| SCHEMBL8535240 | 0.73 | NOTUM (0.68) | NOTUMMAP2K1ALDH1A1GCK | |
| SCHEMBL5317423 | 0.72 | HDAC1 (0.49) | CYP2A6ALDH1A1DRD1HSD17B10ALDH5A1 | |
| SCHEMBL11226843 | 0.72 | NOTUM (0.67) | NOTUMMAP2K1GCK | |
| Hydrochloric Acid SCHEMBL31700388 | 0.72 | NOTUM (0.60) | NOTUMMAP2K1CYP2A6BRS3 | |
| SCHEMBL26033405 | 0.72 | NOTUM (0.60) | NOTUMMAP2K1BRS3GCKDRD2 | |
| SCHEMBL3072721 | 0.72 | NOTUM (0.66) | NOTUMMAP2K1ALDH1A1 | |
| SCHEMBL5711166 | 0.71 | CYP2A6 (0.55) | CYP2A6ALDH1A1DRD1HSD17B10ALDH5A1 |
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-2016016421-A1 | 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS | INSTITUT PASTEUR KOREA (KR) | 2016-02-04 | — | — | WO | disclosed |