Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 6/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 SCHEMBL8476973 | 0.99 | GRIN1 (0.41) | GRIN1GRIN2BKDRNPC1RAB9A | |
| SCHEMBL7813894 | 0.89 | GRIN1 (0.48) | GRIN1GRIN2BKDRRAB9ATDP1 | |
| Hydrochloric Acid SCHEMBL8476978 | 0.87 | GRIN1 (0.47) | GRIN1GRIN2BKDRRAB9AKMT2A | |
| SCHEMBL7807068 | 0.87 | GRIN1 (0.56) | GRIN1GRIN2BNPC1RAB9AMEN1 | |
| SCHEMBL7807032 | 0.86 | TDP1 (0.43) | GRIN1GRIN2BKDRNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL8474413 | 0.86 | GRIN1 (0.55) | GRIN1GRIN2BNPC1RAB9AMEN1 | |
| Hydrochloric Acid SCHEMBL8480108 | 0.84 | TDP1 (0.42) | GRIN1GRIN2BKDRNPC1RAB9A | |
| SCHEMBL1054438 | 0.79 | MEN1 (0.49) | GRIN1GRIN2BNPC1RAB9AMEN1 | |
| SCHEMBL7807073 | 0.75 | GRIN1 (0.62) | GRIN1GRIN2BKDRNPC1RAB9A | |
| SCHEMBL23389133 | 0.75 | PDE10A (0.46) | NPC1RAB9AKMT2APKMHSD17B10 |
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 |