Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSIP1 | O75475 | 1/20 | 0.53 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | CDC25A | P30304 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 2/20 | 0.45 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.44 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.44 |
| ▸ | FGFR4 | P22455 | 3/20 | 0.44 |
| ▸ | FGFR3 | P22607 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3252409 | 0.83 | PTGS2 (0.68) | ALDH1A1PTGS2 | |
| SCHEMBL293991 | 0.80 | PSIP1 (0.74) | PSIP1PTGS2RORCMMP2MMP7 | |
| SCHEMBL5134257 | 0.80 | PSIP1 (0.74) | PSIP1PTGS2RORCMMP2MMP7 | |
| SCHEMBL740371 | 0.80 | FGFR1 (0.61) | MITFALDH1A1MAPTHTTNPSR1 | |
| SCHEMBL5497788 | 0.76 | MAPT (0.65) | MITFALDH1A1MAPTHTTNPSR1 | |
| SCHEMBL13530669 | 0.74 | PTGS2 (0.74) | ALDH1A1PTGS2 | |
| SCHEMBL7878297 | 0.73 | PTGS2 (0.62) | MITFALDH1A1MAPTHTTNPSR1 | |
| SCHEMBL3252412 | 0.73 | PTGS2 (0.49) | MITFALDH1A1MAPTHTTNPSR1 | |
| SCHEMBL180713 | 0.72 | PSIP1 (1.00) | PSIP1ALDH1A1HTT | |
| Fluoride SCHEMBL9493182 | 0.70 | PSIP1 (0.95) | PSIP1ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-6403630-B1 | ADMINISTERING A CYCLOOXYGENASE-2 (COX-2) INHIBITOR ALONE OR IN COMBINATION WITH HERCEPTIN? ANTIBODY; USED TO TREAT BREAST CANCER | CORNELL RESEARCH FOUNDATION, INC. | 2002-06-11 | — | — | US | disclosed |