Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 2/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.35 |
| ▸ | CEL | P19835 | 2/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 5/20 | 0.33 |
| ▸ | CNR2 | P34972 | 5/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.31 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28742447 | 0.94 | TDO2 (0.33) | TDO2S1PR3FEN1 | |
| SCHEMBL23137845 | 0.73 | TDO2 (0.37) | TDO2S1PR3CELKDM4ES1PR1 | |
| SCHEMBL8703975 | 0.72 | CNR1 (0.34) | TDO2S1PR3NUDT1BACE1HSP90AA1 | |
| SCHEMBL23137848 | 0.71 | TDO2 (0.35) | TDO2S1PR3CELKDM4ES1PR1 | |
| SCHEMBL30436490 | 0.71 | KDM4E (0.40) | TDO2S1PR3CELKDM4EMEN1 | |
| SCHEMBL28565231 | 0.68 | HCAR2 (0.37) | TDO2S1PR3KDM4EKMT2A | |
| SCHEMBL23293575 | 0.68 | PTGDR2 (0.34) | TDO2S1PR3 | |
| SCHEMBL30437079 | 0.67 | KDM4E (0.36) | TDO2S1PR3KDM4EMEN1MAPT | |
| SCHEMBL7760634 | 0.64 | NUDT1 (0.52) | TDO2CELNUDT1BACE1HSP90AA1 | |
| SCHEMBL28485353 | 0.64 | PTGDR2 (0.36) | TDO2NUDT1BACE1HSP90AA1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112074515-A | Cyclohexyl acid isoxazoles as LPA antagonists | 百时美施贵宝公司 | 2020-12-11 | — | — | CN | disclosed |
| CN-111479807-A | Cyclohexyl acid isoxazoles azines as L PA antagonists | 百时美施贵宝公司 | 2020-07-31 | — | — | CN | disclosed |