Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KIF11 | P52732 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GRM4 | Q14833 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8896899 | 0.90 | RAPGEF4 (0.67) | RAPGEF4MAPTHTTNPC1RAB9A | |
| SCHEMBL20391866 | 0.88 | NFKB1 (0.59) | RAPGEF4NPSR1MAPTHTTNPC1 | |
| SCHEMBL4701514 | 0.84 | RAPGEF4 (0.61) | RAPGEF4NPSR1MAPTHTTCYP3A4 | |
| SCHEMBL29650380 | 0.83 | NPSR1 (0.86) | NPSR1MAPTHTTCYP1A2CYP3A4 | |
| SCHEMBL1009206 | 0.83 | NPSR1 (0.86) | NPSR1MAPTHTTCYP1A2CYP3A4 | |
| SCHEMBL10875466 | 0.83 | NPSR1 (0.60) | RAPGEF4NPSR1MAPTHTTCYP1A2 | |
| SCHEMBL6720806 | 0.81 | RAPGEF4 (0.50) | RAPGEF4MAPTCYP1A2NPC1RAB9A | |
| SCHEMBL6720946 | 0.81 | RAPGEF4 (0.50) | RAPGEF4MAPTCYP1A2NPC1RAB9A | |
| SCHEMBL9158496 | 0.81 | NPSR1 (0.82) | NPSR1MAPTHTTCYP1A2CYP3A4 | |
| SCHEMBL29930754 | 0.81 | — | — |
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-5648538-A | Process for preparing diarylamines from arylamines | FUSHUN RESEARCH INSTITUTE OF PETROLEUM AND PETROCHEMICALS (CN) | 1997-07-15 | — | — | US | disclosed |