Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 3/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | F10 | P00742 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1050471 | 0.92 | NPC1 (0.52) | GRIN1GRIN2BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7806900 | 0.88 | GRIN1 (0.56) | GRIN1GRIN2BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7807032 | 0.87 | TDP1 (0.43) | GRIN1GRIN2BNPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8478920 | 0.86 | GRIN1 (0.47) | GRIN1GRIN2BNPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8480108 | 0.86 | TDP1 (0.42) | GRIN1GRIN2BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2019822 | 0.85 | NPC1 (0.49) | GRIN1GRIN2BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7811237 | 0.83 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL9598328 | 0.81 | CYP2D6 (0.48) | GRIN1GRIN2BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12635909 | 0.80 | F10 (0.61) | GRIN1GRIN2BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL31284816 | 0.80 | F10 (0.61) | GRIN1GRIN2BNPC1RAB9ASMN1; SMN2 |
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 |