Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 5/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25351455 | 0.84 | ROCK2 (0.47) | ROCK2MAOAMAOBGRM5BTK | |
| SCHEMBL31607389 | 0.83 | ROCK2 (0.46) | ROCK2MAOAMAOBGRM5BTK | |
| SCHEMBL18661406 | 0.83 | ROCK2 (0.46) | ROCK2MAOAMAOBGRM5BTK | |
| SCHEMBL30088006 | 0.79 | XDH (0.46) | ROCK2MAOAMAOBGRM5BTK | |
| SCHEMBL28601707 | 0.79 | XDH (0.46) | ROCK2MAOAMAOBGRM5BTK | |
| SCHEMBL27565169 | 0.78 | NR3C1 (0.38) | GRM5NR3C1PGRNR3C2AR | |
| SCHEMBL6091339 | 0.77 | NR3C1 (0.57) | ROCK2GRM5BTKALDH1A1HPGD | |
| SCHEMBL31456523 | 0.77 | NR3C1 (0.57) | ROCK2GRM5BTKALDH1A1HPGD | |
| SCHEMBL21805739 | 0.76 | ROCK2 (0.40) | ROCK2MAOAMAOBGRM5BTK | |
| SCHEMBL987784 | 0.71 | KEAP1 (0.56) | MAOBALDH1A1HPGDKMT2AMEN1 |
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-3492474-B1 | INTERMEDIATES USED IN THE PRODUCTION OF DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2021-08-11 | — | — | EP | disclosed |