Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | SELE | P16581 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL16472180 | 0.88 | USP2 (0.40) | PDE4BMAPTCA1CA2RAB9A | |
| SCHEMBL14748413 | 0.87 | PDE4B (0.40) | PDE4BKDM4EGAAMAPTCA12 | |
| SCHEMBL21628569 | 0.79 | IGFBP3 (0.48) | KDM4EGAAMAPTCA12CA1 | |
| SCHEMBL2526890 | 0.78 | PDE4B (0.66) | PDE4B | |
| SCHEMBL21628653 | 0.78 | CA12 (0.47) | KDM4EGAAMAPTCA12CA1 | |
| SCHEMBL8005538 | 0.78 | ROCK2 (0.41) | GAAMAPTOPRM1OPRD1OPRK1 | |
| SCHEMBL14748429 | 0.77 | PTGS2 (0.43) | PDE4BKDM4EGAACA12CA2 | |
| SCHEMBL21628635 | 0.76 | OPRK1 (0.45) | KDM4EGAAMAPTCA12CA1 | |
| SCHEMBL21628676 | 0.75 | CA12 (0.43) | KDM4EGAAMAPTCA12CA1 | |
| SCHEMBL21628710 | 0.75 | NPC1 (0.44) | KDM4EGAAMAPTCA12CA1 |
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-3246034-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | Anacor Pharmaceuticals, Inc. (US) | 2017-11-22 | — | — | EP | disclosed |
| EP-2564857-A1 | Boron-containing small molecules as anti-inflammatory agents | Anacor Pharmaceuticals, Inc. (US) | 2013-03-06 | — | — | EP | disclosed |