Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MMP12 | P39900 | 2/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
| ▸ | PNP | P00491 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016628 | 0.81 | CHEK1 (0.37) | CHEK1ADORA3ALDH1A1KDM4EAURKA | |
| SCHEMBL11125305 | 0.79 | ALDH1A1 (0.35) | ADORA3ALDH1A1USP2TP53HPGD | |
| SCHEMBL42313 | 0.78 | ADORA2A (0.42) | ADORA3ALDH1A1USP2TP53HPGD | |
| SCHEMBL17289600 | 0.78 | ADORA2A (0.43) | CHEK1ADORA3AURKAADORA2AADORA1 | |
| SCHEMBL9544738 | 0.78 | ADORA3 (0.40) | CHEK1ADORA3KDM4EAURKAHTT | |
| SCHEMBL6831168 | 0.75 | CSNK2A2 (0.41) | ADORA3ALDH1A1USP2TP53HPGD | |
| SCHEMBL6829678 | 0.75 | ALDH1A1 (0.35) | ADORA3ALDH1A1USP2TP53HPGD | |
| SCHEMBL6826186 | 0.75 | ALDH1A1 (0.35) | ADORA3ALDH1A1USP2TP53HPGD | |
| SCHEMBL28995610 | 0.75 | MMP12 (0.36) | ADORA3ALDH1A1USP2TP53HPGD | |
| SCHEMBL1868817 | 0.73 | ADORA2A (0.43) | ALDH1A1HPGDLMNAKDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-7972994-B2 | Methods for synthesis of encoded libraries | GLAXOSMITHKLINE LLC (US) | 2011-07-05 | — | — | US | disclosed |
| US-20070042401-A1 | Methods for synthesis of encoded libraries | PRAECIS PHARMACEUTICALS, INC. (US) | 2007-02-22 | — | — | US | disclosed |