Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.44 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | RORC | P51449 | 2/20 | 0.41 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.39 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL8285557 | 0.91 | ADORA2A (0.44) | ADORA2AADORA1ADORA3ADORA2BPIK3C2B | |
| SCHEMBL13773410 | 0.87 | CDK1 (0.42) | CDK1CDK4CDK2ADORA2AADORA1 | |
| SCHEMBL8284609 | 0.86 | NPC1 (0.45) | CDK1CDK4CDK2ADORA2AADORA1 | |
| SCHEMBL2539136 | 0.82 | SLC22A12 (0.43) | CDK1CDK4CDK2ADORA2AADORA1 | |
| SCHEMBL13773349 | 0.82 | CDK1 (0.43) | CDK1CDK4CDK2ACSS2TNF | |
| SCHEMBL8283839 | 0.81 | TNF (0.40) | CDK1CDK4CDK2ADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL2541975 | 0.79 | TNF (0.43) | CDK1CDK4CDK2ADORA2AADORA1 | |
| SCHEMBL8284619 | 0.78 | NPC1 (0.54) | PIK3C2BALDH1A1KMT2AKDM4ENPC1 | |
| SCHEMBL2542294 | 0.76 | RPS6KA5 (0.41) | ADORA2AADORA1ADORA3ADORA2BPIK3C2B | |
| SCHEMBL8283840 | 0.75 | TNF (0.40) | ADORA2AADORA1ADORA3ADORA2BPIK3C2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697343-B1 | AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION | TIBOTEC PHARM LTD (IE) | 2009-07-01 | — | — | EP | disclosed |