Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.33 |
| ▸ | KMO | O15229 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.32 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.32 |
| ▸ | CAMKK2 | Q96RR4 | 4/20 | 0.31 |
| ▸ | CAMKK1 | Q8N5S9 | 2/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.30 |
| ▸ | SMURF2 | Q9HAU4 | 1/20 | 0.30 |
| ▸ | SMURF1 | Q9HCE7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1704374 | 0.93 | HCAR2 (0.36) | HCAR2TAS1R3TAS1R1TAS1R2SMURF2 | |
| SCHEMBL30437079 | 0.84 | KDM4E (0.36) | S1PR3KDM4EKMT2ATAS1R3TAS1R1 | |
| SCHEMBL30436490 | 0.81 | KDM4E (0.40) | S1PR3KDM4EKMT2ATAS1R3TAS1R1 | |
| SCHEMBL14108402 | 0.76 | KDM4E (0.32) | KDM4EKMT2ATAS1R3TAS1R1TAS1R2 | |
| Hydrochloric Acid SCHEMBL28847293 | 0.75 | KDM4E (0.31) | KDM4EKMT2ATAS1R3TAS1R1TAS1R2 | |
| SCHEMBL21523644 | 0.74 | OGFRL1 (0.31) | — | |
| SCHEMBL23293575 | 0.73 | PTGDR2 (0.34) | S1PR3L3MBTL1PTGDR2TDO2 | |
| SCHEMBL28742447 | 0.73 | TDO2 (0.33) | HCAR2S1PR3TDO2 | |
| SCHEMBL20587999 | 0.71 | ACMSD (0.37) | HCAR2S1PR3KMOKDM4EGLA | |
| SCHEMBL28448356 | 0.68 | TDO2 (0.39) | S1PR3KDM4EKMT2ATDO2 |
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-112088157-A | Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors | 拉文纳制药公司 | 2020-12-15 | — | — | CN | disclosed |