Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K4 | P45985 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | MAPK6 | Q16659 | 2/20 | 0.50 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.50 |
| ▸ | RXRA | P19793 | 2/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | RARA | P10276 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | RARG | P13631 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ADH5 | P11766 | 1/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8808192 | 0.83 | MAPK1 (0.54) | MAP2K4MAPK1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11669081 | 0.79 | DGAT1 (0.48) | RXRARXRBALDH1A1GAAHPGD | |
| SCHEMBL6850964 | 0.77 | MEN1 (0.48) | MAPK1ALDH1A1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL2449809 | 0.77 | ALOX15 (0.48) | ALDH1A1SMN1; SMN2KDM4EGAAHPGD | |
| SCHEMBL23294538 | 0.77 | MAP2K4 (0.37) | MAP2K4MAPK1MAPK6MAPKAPK3ALDH1A1 | |
| SCHEMBL8123127 | 0.76 | RXRA (0.44) | MAP2K4MAPK1MAPK6MAPKAPK3RXRA | |
| SCHEMBL3160320 | 0.74 | MAPK14 (0.42) | ALDH1A1SMN1; SMN2KDM4EGAAKMT2A | |
| SCHEMBL15741508 | 0.74 | NPC1 (0.43) | ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL3755589 | 0.74 | IKBKB (0.41) | MAPK1KDM4EGAAHPGDHSD17B10 | |
| SCHEMBL8809117 | 0.74 | CYP2A6 (0.42) | ALDH1A1SMN1; SMN2KDM4EHPGDKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020118683-A1 | BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF | LYNK PHARMACEUTICALS CO. LTD. (CN) | 2020-06-18 | — | — | WO | disclosed |
| EP-0917530-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | SMITHKLINE BEECHAM PLC (GB) | 1999-05-26 | — | — | EP | disclosed |
| WO-1997043262-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | SMITHKLINE BEECHAM P.L.C. (GB) | 1997-11-20 | — | — | WO | disclosed |