Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 4/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.34 |
| ▸ | GSK3A | P49840 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.34 |
| ▸ | PRKD2 | Q9BZL6 | 2/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | MARK3 | P27448 | 1/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.34 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7809674 | 0.92 | TDP1 (0.40) | ADRB2NCF1ALDH1A1SLC22A12KDR | |
| SCHEMBL4556153 | 0.80 | TDP1 (0.47) | KIF11PDE10AKDM4ETDP1 | |
| SCHEMBL8565612 | 0.73 | MEN1 (0.48) | ADRB2NCF1ALDH1A1SLC22A12KIF11 | |
| SCHEMBL2015868 | 0.71 | TDP1 (0.44) | ALDH1A1KDM4EFGFR1TDP1 | |
| SCHEMBL8565482 | 0.70 | ADRB2 (0.42) | ADRB2NCF1ALDH1A1SLC22A12PARP1 | |
| SCHEMBL7808588 | 0.70 | TDP1 (0.43) | ALDH1A1PRKD3AURKBCLK4TAOK1 | |
| SCHEMBL9597974 | 0.70 | PDE10A (0.47) | PDE10AKDM4E | |
| Hydrochloric Acid SCHEMBL8480475 | 0.69 | TDP1 (0.42) | ALDH1A1PRKD3AURKBCLK4TAOK1 | |
| SCHEMBL7808616 | 0.69 | NPC1 (0.50) | ALDH1A1L3MBTL1TDP1 | |
| SCHEMBL7808661 | 0.69 | TDP1 (0.43) | ALDH1A1TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0820990-B1 | Benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors | ADIR (FR) | 2001-01-17 | — | — | EP | disclosed |
| US-5972968-A | INTERLEUKIN INHIBITOR | ADIR ET COMPAGNIE (FR) | 1999-10-26 | — | — | US | disclosed |
| EP-0820990-A2 | Novel benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors | ADIR ET COMPAGNIE (FR) | 1998-01-28 | — | — | EP | disclosed |