Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | DYRK1A | Q13627 | 7/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | ACHE | P22303 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.53 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.53 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.53 |
| ▸ | CDK1 | P06493 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6826816 | 0.89 | KDM4E (0.58) | ALDH1A1HPGDDYRK1AKDM4EHSD17B10 | |
| SCHEMBL14098810 | 0.79 | CDK4 (0.51) | ALDH1A1HPGDLMNADYRK1AKDM4E | |
| SCHEMBL20138908 | 0.78 | DYRK1A (0.54) | ALDH1A1HPGDLMNADYRK1AKDM4E | |
| SCHEMBL38652511 | 0.78 | PARP1 (0.50) | ALDH1A1HPGDLMNADYRK1AKDM4E | |
| SCHEMBL11260347 | 0.76 | ALDH1A1 (0.51) | ALDH1A1HPGDLMNADYRK1AKDM4E | |
| SCHEMBL3472838 | 0.75 | CHEK1 (0.48) | ALDH1A1HPGDLMNADYRK1AKDM4E | |
| SCHEMBL16126072 | 0.74 | DYRK1A (0.63) | ALDH1A1HPGDLMNADYRK1AKDM4E | |
| SCHEMBL30940003 | 0.74 | DYRK1A (0.63) | ALDH1A1HPGDLMNADYRK1AKDM4E | |
| SCHEMBL3472148 | 0.74 | CHEK1 (0.54) | ALDH1A1HPGDDYRK1AKDM4EHSD17B10 | |
| SCHEMBL3473510 | 0.73 | CHEK1 (0.46) | ALDH1A1HPGDDYRK1AKDM4EHSD17B10 |
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-2004111052-A1 | PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) | XENOVA LIMITED (GB) | 2004-12-23 | — | — | WO | disclosed |