Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL7984533 | 0.84 | PTGS2 (0.51) | PPARGPTGS2MEN1KMT2ATSHR | |
| SCHEMBL7998516 | 0.79 | TSHR (0.44) | POLBHTTMEN1KMT2ATSHR | |
| SCHEMBL8128981 | 0.78 | POLB (0.55) | NPSR1POLBHTTL3MBTL1PPARG | |
| SCHEMBL25266430 | 0.77 | CYSLTR2 (0.46) | DHFREGFRPPARGPTGS2MEN1 | |
| SCHEMBL30606586 | 0.77 | PPARG (0.60) | PPARGALOX5PTGS2HTR1ATSHR | |
| SCHEMBL6686117 | 0.77 | PPARG (0.44) | NPSR1POLBHTTL3MBTL1PPARG | |
| SCHEMBL28218194 | 0.77 | PPARG (0.47) | NPSR1POLBHTTL3MBTL1PPARG | |
| SCHEMBL6679792 | 0.76 | PPARG (0.46) | PPARGALOX5PTGS2HTR1AMEN1 | |
| SCHEMBL8674421 | 0.76 | PPARG (0.46) | NPSR1POLBHTTL3MBTL1PPARG | |
| SCHEMBL2803859 | 0.76 | CYSLTR2 (0.41) | DHFREGFRNPSR1POLBHTT |
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-6284918-B1 | ENZYME INHIBITORS | VANDERBILT UNIVERSITY | 2001-09-04 | — | — | US | disclosed |