Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 13/20 | 0.62 |
| ▸ | GRIN2B | Q13224 | 13/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
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 SCHEMBL8479286 | 0.99 | GRIN1 (0.60) | GRIN1GRIN2BCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL7806889 | 0.89 | GRIN1 (0.52) | GRIN1GRIN2BRAB9ANPC1TP53 | |
| Hydrochloric Acid SCHEMBL8479280 | 0.88 | GRIN1 (0.51) | GRIN1GRIN2BRAB9ANPC1TP53 | |
| SCHEMBL7813706 | 0.82 | GRIN1 (0.67) | GRIN1GRIN2BCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL7807073 | 0.82 | GRIN1 (0.62) | GRIN1GRIN2BCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL7808795 | 0.82 | GRIN1 (0.62) | GRIN1GRIN2BCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL7808658 | 0.82 | GRIN1 (0.62) | GRIN1GRIN2BCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL7806906 | 0.82 | GRIN1 (0.62) | GRIN1GRIN2BCYP1A2CYP2E1CYP3A4 | |
| Hydrochloric Acid SCHEMBL8474417 | 0.81 | GRIN1 (0.61) | GRIN1GRIN2BCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL11098637 | 0.78 | GRIN1 (0.61) | GRIN1GRIN2BCYP1A2CYP2E1CYP3A4 |
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 |