Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27677964 | 0.84 | NPC1 (0.40) | ALDH1A1ENPP1SMN1; SMN2TDP1MEN1 | |
| SCHEMBL17696409 | 0.76 | GRM5 (0.44) | ALDH1A1ENPP1AOC3MAPK1SMN1; SMN2 | |
| SCHEMBL189068 | 0.74 | GRM5 (0.44) | ALDH1A1ENPP1AOC3SMN1; SMN2MEN1 | |
| SCHEMBL20606819 | 0.74 | KDM4E (0.44) | ALDH1A1ENPP1AOC3MAPK1SMN1; SMN2 | |
| SCHEMBL4631483 | 0.73 | PTGS2 (0.34) | TDP1PDE4APOLBPDE4DNPC1 | |
| SCHEMBL17693906 | 0.71 | ALDH1A1 (0.40) | ALDH1A1ENPP1AOC3CYP1A2TSHR | |
| SCHEMBL6775456 | 0.71 | TSHR (0.48) | ALDH1A1SMN1; SMN2MEN1LMNATSHR | |
| SCHEMBL22641245 | 0.70 | PTGS2 (0.48) | ALDH1A1ENPP1SMN1; SMN2TDP1MEN1 | |
| SCHEMBL2853131 | 0.70 | ALDH1A1 (0.32) | ALDH1A1TDP1KDM4EHPGD | |
| SCHEMBL31381976 | 0.70 | NPSR1 (0.55) | ALDH1A1MAPK1CYP3A4TDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021026672-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | NOVARTIS AG (CH) | 2021-02-18 | — | — | WO | disclosed |