Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 3/20 | 0.39 |
| ▸ | HTR1B | P28222 | 3/20 | 0.39 |
| ▸ | HTR1F | P30939 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | QDPR | P09417 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26042003 | 0.86 | VDR (0.36) | HTR1DHTR1BHTR1FALOX15DRD2 | |
| SCHEMBL18698318 | 0.78 | QDPR (0.45) | HTR1DHTR1BHTR1FALOX15DRD2 | |
| SCHEMBL13548512 | 0.78 | HTR1D (0.40) | HTR1DHTR1BHTR1FALOX15CYP1A2 | |
| SCHEMBL17304106 | 0.77 | ALK (0.43) | HTR1DHTR1BHTR1FCYP1A2CYP3A4 | |
| SCHEMBL30640846 | 0.77 | ALK (0.43) | HTR1DHTR1BHTR1FCYP1A2CYP3A4 | |
| SCHEMBL12635462 | 0.76 | QDPR (0.44) | HTR1DHTR1BHTR1FDRD2QDPR | |
| SCHEMBL26040667 | 0.74 | HTR1D (0.52) | HTR1DHTR1BHTR1FPLGCYP1A2 | |
| SCHEMBL12705449 | 0.73 | HTR1D (0.35) | HTR1DHTR1BHTR1FALOX15DRD2 | |
| SCHEMBL18869770 | 0.73 | NOTUM (0.34) | NOS3NOS1 | |
| SCHEMBL1014752 | 0.72 | ALK (0.43) | HTR1DHTR1BCYP3A4KCNH2 |
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-2022063106-A1 | INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS | BEIGENE, LTD. (KY) | 2022-03-31 | — | — | WO | disclosed |