Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | FABP4 | P15090 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | DHODH | Q02127 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13675181 | 0.91 | PTGS2 (0.33) | PTGS2TLR9TLR8TLR7CCNT1 | |
| SCHEMBL9963639 | 0.88 | PTGS2 (0.44) | PTGS2TLR9TLR8TLR7CHRM4 | |
| SCHEMBL9963672 | 0.88 | PTGS2 (0.38) | PTGS2TLR9TLR8TLR7CHRM4 | |
| SCHEMBL9963654 | 0.86 | PTGS2 (0.39) | PTGS2TLR9TLR8TLR7CHRM4 | |
| SCHEMBL14369905 | 0.85 | PTGS2 (0.36) | PTGS2TLR9TLR8TLR7CHRM4 | |
| SCHEMBL9963641 | 0.84 | CHRM4 (0.35) | PTGS2TLR9TLR8TLR7CHRM4 | |
| SCHEMBL9963607 | 0.84 | ACHE (0.38) | PTGS2TLR9TLR8TLR7CHRM4 | |
| SCHEMBL9963658 | 0.84 | TP53 (0.42) | PTGS2TLR9TLR8TLR7CHRM4 | |
| SCHEMBL9963660 | 0.83 | ACHE (0.41) | PTGS2TLR9TLR8TLR7CHRM4 | |
| SCHEMBL9963644 | 0.83 | PTGS2 (0.37) | PTGS2TLR9TLR8TLR7 |
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-2032583-B1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2014-11-19 | — | — | EP | disclosed |
| US-8203001-B2 | Chemical compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-19 | — | — | US | disclosed |