Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 5/20 | 0.42 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20568116 | 0.86 | CETP (0.46) | CETPCACNA1GCACNA1BCACNA1CMET | |
| SCHEMBL6679733 | 0.84 | TSHR (0.44) | ALDH1A1POLBL3MBTL1NR1D1TSHR | |
| SCHEMBL27404738 | 0.82 | P2RX1 (0.40) | CETPALDH1A1L3MBTL1P2RX1TACR1 | |
| SCHEMBL6678261 | 0.80 | CETP (0.43) | CETPCACNA1GCACNA1BCACNA1CTACR1 | |
| SCHEMBL6679985 | 0.79 | CYP2D6 (0.51) | ALDH1A1TSHR | |
| SCHEMBL31609065 | 0.79 | GPBAR1 (0.37) | CACNA1GCACNA1BCACNA1CALDH1A1L3MBTL1 | |
| SCHEMBL7243745 | 0.78 | CETP (0.38) | CETPCACNA1GCACNA1BCACNA1CALDH1A1 | |
| SCHEMBL28566645 | 0.78 | CACNA1H (0.46) | CETPCACNA1BCACNA1CALDH1A1POLB | |
| SCHEMBL787788 | 0.77 | CYP3A4 (0.42) | CETPALDH1A1L3MBTL1P2RX1TACR1 | |
| SCHEMBL29839845 | 0.77 | CYP3A4 (0.42) | CETPALDH1A1L3MBTL1P2RX1TACR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0798292-B1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) | 2004-11-03 | — | — | EP | disclosed |
| US-6534546-B1 | Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-03-18 | — | — | US | disclosed |
| EP-0798292-A1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | Chugai Seiyaku Kabushiki Kaisha (JP) | 1997-10-01 | — | — | EP | disclosed |