Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 4/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 7/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 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 | |
|---|---|---|---|---|
| SCHEMBL28909945 | 0.90 | MAPK1 (0.60) | MAPK1NPSR1MAPTMEN1ALDH1A1 | |
| SCHEMBL28538489 | 0.81 | GAA (0.45) | MAPK1NPSR1MAPTALDH1A1RAB9A | |
| SCHEMBL28538545 | 0.81 | SCD (0.39) | MAPK1NPSR1SCD | |
| SCHEMBL28538538 | 0.79 | SCD (0.40) | MAPK1NPSR1CYP2D6SCD | |
| SCHEMBL28909927 | 0.77 | SCD (0.42) | MAPK1NPSR1PKMCYP2D6HTT | |
| SCHEMBL28521995 | 0.75 | ALDH1A1 (0.39) | MAPK1NPSR1MAPTMEN1ALDH1A1 | |
| SCHEMBL28534358 | 0.74 | NOS2 (0.46) | MAPK1SCD | |
| SCHEMBL31285863 | 0.73 | MAPK1 (0.56) | MAPK1NPSR1ALDH1A1ENPP2POLB | |
| SCHEMBL22587877 | 0.73 | MAPK1 (0.56) | MAPK1NPSR1ALDH1A1ENPP2POLB | |
| SCHEMBL718625 | 0.72 | MAPK1 (0.65) | MAPK1MAPTMEN1ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-111848598-A | Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound | 健艾仕生物医药有限公司 | 2020-10-30 | — | — | CN | disclosed |