Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | MLKL | Q8NB16 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8480219 | 0.99 | NPSR1 (0.45) | TDP1NPSR1PRMT5CHEK2MLKL | |
| SCHEMBL7806924 | 0.89 | TDP1 (0.54) | TDP1NPSR1CHEK2MLKLGAA | |
| Hydrochloric Acid SCHEMBL8480221 | 0.87 | NPSR1 (0.55) | TDP1NPSR1CHEK2MLKLGAA | |
| SCHEMBL7808442 | 0.84 | TDP1 (0.42) | TDP1NPSR1GAAALPLMAPK1 | |
| Hydrochloric Acid SCHEMBL8478371 | 0.83 | NPSR1 (0.44) | TDP1NPSR1GAAALPLMAPK1 | |
| SCHEMBL7808597 | 0.83 | RAB9A (0.60) | TDP1GAAMAPK1NPC1RAB9A | |
| SCHEMBL7808595 | 0.83 | RAB9A (0.60) | TDP1GAAMAPK1NPC1RAB9A | |
| SCHEMBL7802149 | 0.79 | RAB9A (0.52) | TDP1GAAMAPK1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL8635004 | 0.78 | MLKL (0.47) | TDP1PRMT5CHEK2MLKLNPC1 | |
| SCHEMBL5062626 | 0.74 | NPC1 (0.48) | CHEK2MAPK1NPC1RAB9AEGFR |
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 2 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 |
| EP-0820990-A2 | Novel benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors | ADIR ET COMPAGNIE (FR) | 1998-01-28 | — | — | EP | disclosed |