Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 4/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | FNTA | P49354 | 2/20 | 0.39 |
| ▸ | FNTB | P49356 | 2/20 | 0.39 |
| ▸ | PGGT1B | P53609 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14117410 | 0.89 | XDH (0.43) | ARCYP2A6XDHKDM4EALDH1A1 | |
| SCHEMBL16954928 | 0.86 | AR (0.46) | KCNJ1KCNH2ARXDHKDM4E | |
| SCHEMBL24845851 | 0.86 | CYP2A6 (0.40) | KCNJ1KCNH2ARCYP2A6KDM4E | |
| SCHEMBL23424448 | 0.86 | KCNJ1 (0.45) | KCNJ1KCNH2ARXDHKDM4E | |
| SCHEMBL30730412 | 0.86 | CYP2A6 (0.40) | KCNJ1KCNH2ARCYP2A6KDM4E | |
| SCHEMBL12188729 | 0.84 | AR (0.55) | ARCYP2A6KDM4EFNTAFNTB | |
| SCHEMBL2731715 | 0.83 | KCNJ1 (0.48) | KCNJ1KCNH2ARXDHKDM4E | |
| SCHEMBL2722907 | 0.83 | KCNJ1 (0.46) | KCNJ1KCNH2ARXDHKDM4E | |
| SCHEMBL2731330 | 0.81 | FFAR1 (0.48) | KCNJ1KCNH2XDHKDM4EALDH1A1 | |
| SCHEMBL1776690 | 0.80 | AR (0.57) | KCNJ1KCNH2ARXDHKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-4008405-A1 | UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR | Taisho Pharmaceutical Co., Ltd. (JP) | 2022-06-08 | — | — | EP | disclosed |