Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | RHEB | Q15382 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
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 SCHEMBL8524871 | 0.99 | CHEK2 (0.50) | CHEK2TDP1LMNAGRIN1GRIN2B | |
| SCHEMBL7806830 | 0.90 | TDP1 (0.49) | CHEK2TDP1LMNAGRIN1GRIN2B | |
| Hydrochloric Acid SCHEMBL8524865 | 0.89 | TDP1 (0.48) | CHEK2TDP1LMNAGRIN1GRIN2B | |
| SCHEMBL7806906 | 0.85 | GRIN1 (0.62) | CHEK2TDP1GRIN1GRIN2BNPSR1 | |
| SCHEMBL7807037 | 0.84 | TDP1 (0.54) | TDP1GRIN1GRIN2BNPSR1RHEB | |
| Hydrochloric Acid SCHEMBL8480113 | 0.83 | TDP1 (0.52) | TDP1GRIN1GRIN2BNPSR1RHEB | |
| SCHEMBL471098 | 0.79 | PPARG (0.62) | CHEK2RAB9APPARG | |
| Hydrochloric Acid SCHEMBL8478928 | 0.77 | GRIN1 (0.56) | CHEK2TDP1LMNAGRIN1GRIN2B | |
| SCHEMBL10918554 | 0.75 | RAD52 (0.51) | TDP1GRIN1GRIN2BNPSR1 | |
| SCHEMBL31284816 | 0.75 | F10 (0.61) | TDP1LMNAGRIN1GRIN2BNPSR1 |
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 |