Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.42 |
| ▸ | ALPL | P05186 | 3/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | CTSA | P10619 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | ACSS2 | Q9NR19 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL3657877 | 0.75 | AKR1C3 (0.43) | KMOKDM4AKDM5AKDM4CKDM5B | |
| SCHEMBL2259475 | 0.75 | KMO (0.52) | KMOALPLKDM4AKDM5AKDM4C | |
| SCHEMBL2263395 | 0.74 | KMO (0.46) | KMOALPLKDM4AKDM5AKDM4C | |
| SCHEMBL21817458 | 0.73 | PIK3CA (0.52) | KMOPIK3CAPIK3CGALPLKDM5A | |
| SCHEMBL2263758 | 0.73 | KMO (0.48) | KMOALPLKDM4AKDM5AKDM4C | |
| SCHEMBL2262383 | 0.72 | KMO (0.50) | KMOPIK3CAPIK3CGALPLKDM4A | |
| SCHEMBL14975943 | 0.72 | KMO (0.59) | KMOKDM4AKDM5AKDM4CKDM5B | |
| SCHEMBL4388622 | 0.66 | P4HA1 (0.58) | KMOALPLKDM4AKDM5AKDM4C | |
| SCHEMBL475505 | 0.66 | TTR (0.57) | KMOALPLKDM4AKDM5AKDM4C | |
| SCHEMBL1424911 | 0.66 | ALOX15 (0.43) | ALPLDHODHMEN1CA1CA2 |
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-2358371-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | Merck Sharp & Dohme Corp. (US) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010051188-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME CORP. (US) | 2010-05-06 | — | — | WO | disclosed |