Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 7/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9338651 | 0.89 | PTGS2 (0.45) | PTGS2PDE4BLMNANTSR1GPR55 | |
| SCHEMBL14620261 | 0.87 | PSMB8 (0.38) | PTGS2LMNAHTTL3MBTL1GAA | |
| SCHEMBL30540066 | 0.82 | PTGS2 (0.48) | PTGS2PDE4BLMNANTSR1GPR55 | |
| SCHEMBL14275465 | 0.76 | ALDH1A1 (0.32) | MAPTALDH1A1CYP3A4NPC1RAB9A | |
| SCHEMBL14275471 | 0.74 | PTGS2 (0.44) | PTGS2MAPT | |
| SCHEMBL10684202 | 0.74 | PTGS2 (0.55) | PTGS2PDE4BLMNANTSR1KMT2A | |
| SCHEMBL18563849 | 0.73 | ALDH1A1 (0.39) | PTGS2NTSR1GPR55KMT2AMAPT | |
| SCHEMBL17430613 | 0.73 | GSK3B (0.42) | PTGS2LMNAKMT2AMAPTHTT | |
| SCHEMBL17430496 | 0.73 | ACP3 (0.41) | PTGS2LMNAKMT2AMAPTHTT | |
| SCHEMBL17430609 | 0.72 | ALDH1A1 (0.42) | PTGS2NTSR1GPR55KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007003520-A1 | FLUORESCENT DIKETOPYRROLOPYRROLES AND DERIVATIVES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2007-01-11 | — | — | WO | disclosed |