Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 3/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.33 |
| ▸ | GAS6 | Q14393 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL8409811 | 0.86 | KHK (0.36) | KHKCXCR4CYP2D6AXLFLT3 | |
| SCHEMBL8407524 | 0.86 | KHK (0.36) | KHKIDO1CXCR4CYP2D6AXL | |
| SCHEMBL8791217 | 0.81 | KHK (0.39) | KHKCXCR4CYP2D6TP53FFAR2 | |
| SCHEMBL8406794 | 0.80 | SLC6A2 (0.40) | IDO1GRM5TP53ADRA1DADRA1A | |
| SCHEMBL10606573 | 0.80 | IDO1 (0.47) | IDO1GRM5 | |
| SCHEMBL8409924 | 0.79 | ACHE (0.49) | CYP2D6TP53 | |
| SCHEMBL9093069 | 0.77 | DRD2 (0.38) | TYRO3 | |
| SCHEMBL8406705 | 0.76 | TP53 (0.37) | IDO1GRM5TP53PTK2 | |
| SCHEMBL9640162 | 0.72 | IDO1 (0.44) | IDO1GRM5 | |
| SCHEMBL8408425 | 0.71 | SLC6A2 (0.39) | KHKAXLFLT3TYRO3MERTK |
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 |
|---|---|---|---|---|---|---|---|
| US-5866589-A | Alkyl substituted piperadinyl and piperazinyl anti-AIDS compounds | PHARMACIA & UPJOHN COMPANY (US) | 1999-02-02 | — | — | US | disclosed |
| EP-0797576-A1 | ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 1997-10-01 | — | — | EP | disclosed |
| WO-1996018628-A1 | ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 1996-06-20 | — | — | WO | disclosed |