Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL5281280 | 0.87 | PTGS2 (0.39) | PTGS2PTGS1KDM4ECHRNA7 | |
| SCHEMBL14624155 | 0.85 | KDM4E (0.33) | PTGS2PTGS1HTTMAPTKDM4E | |
| SCHEMBL5288324 | 0.84 | L3MBTL1 (0.36) | PTGS2MAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL5323331 | 0.81 | RGS4 (0.48) | HTTMAPTKDM4ETP53ALDH1A1 | |
| SCHEMBL14624160 | 0.77 | HTT (0.35) | PTGS2PTGS1HTTTHRBLMNA | |
| SCHEMBL5296183 | 0.75 | POLB (0.34) | PTGS2PTGS1HTTKDM4ETHRB | |
| SCHEMBL5328955 | 0.75 | TP53 (0.49) | MAPTTHRBTP53KMT2A | |
| SCHEMBL5294487 | 0.74 | POLB (0.39) | PTGS2PTGS1HTTMAPTKDM4E | |
| SCHEMBL5325697 | 0.74 | RAD51 (0.40) | PTGS2PTGS1HTTTHRBLMNA | |
| SCHEMBL5280436 | 0.73 | POLB (0.37) | PTGS2PTGS1HTTMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007007161-A2 | NOVEL BIO-ACTIVE DERIVATIVES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-01-18 | — | — | WO | claimed |
| WO-2007007161-A2 | NOVEL BIO-ACTIVE DERIVATIVES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-01-18 | — | — | WO | disclosed |