Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.57 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CD38 | P28907 | 2/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 3/20 | 0.37 |
| ▸ | JAK1 | P23458 | 3/20 | 0.37 |
| ▸ | JAK3 | P52333 | 3/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31610667 | 0.80 | ROCK2 (0.48) | CA5A | |
| SCHEMBL16862950 | 0.79 | BRD4 (0.59) | BRD4KLKB1P2RX7GRM5 | |
| SCHEMBL9714155 | 0.74 | CA5A (0.47) | CA5AKLKB1KDM4EALDH1A1CD38 | |
| SCHEMBL13734944 | 0.74 | BRD4 (0.39) | CA5ABRD4GRM2GRM5 | |
| SCHEMBL9714307 | 0.73 | CA5A (0.46) | CA5AKDM4EALDH1A1CD38PTGDR2 | |
| SCHEMBL9714585 | 0.73 | CA5A (0.46) | CA5AKLKB1KDM4EALDH1A1CD38 | |
| SCHEMBL31333084 | 0.73 | CA5A (0.52) | CA5APTGDR2GRM2PDE4APDE7A | |
| Rufinamide SCHEMBL230448 | 0.72 | CA5A (1.00) | CA5AKLKB1ALDH1A1GRM2OPRM1 | |
| Rufinamide SCHEMBL20769779 | 0.72 | CA5A (1.00) | CA5AKLKB1ALDH1A1GRM2OPRM1 | |
| SCHEMBL9714146 | 0.72 | CA5A (0.58) | CA5AKLKB1GRM2JAK2JAK1 |
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-0248414-B1 | ARALKYL IMIDAZOLE DERIVATIVES | CIBA-GEIGY AG (CH) | 1992-09-23 | — | — | EP | claimed |
| EP-0248414-B1 | ARALKYL IMIDAZOLE DERIVATIVES | CIBA-GEIGY AG (CH) | 1992-09-23 | — | — | EP | disclosed |