Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.45 |
| ▸ | IMPDH2 | P12268 | 4/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2047737 | 0.85 | DYRK1A (0.41) | DRD1NFKB1MAOAMAOBDYRK1A | |
| SCHEMBL31061858 | 0.81 | DRD1 (0.39) | DRD1IMPDH2NFKB1DYRK1AKDM4E | |
| SCHEMBL445595 | 0.78 | IMPDH2 (0.58) | IMPDH2MAOAMAOBDYRK1AKDM4E | |
| Bromide SCHEMBL27922950 | 0.76 | IMPDH2 (0.56) | IMPDH2MAOAMAOBDYRK1AKDM4E | |
| Pyrazine SCHEMBL29129778 | 0.76 | TDP1 (0.44) | NFKB1MAOAMAOBDYRK1AKDM4E | |
| SCHEMBL8274128 | 0.74 | IMPDH2 (0.43) | DRD1IMPDH2MAOAMAOBDYRK1A | |
| SCHEMBL4429415 | 0.73 | PAX8 (0.48) | NFKB1MAOAMAOBDYRK1AKDM4E | |
| Pyridine SCHEMBL28575847 | 0.73 | HSD17B10 (0.41) | NFKB1MAOAMAOBDYRK1AKDM4E | |
| Pyrimidine SCHEMBL29096576 | 0.73 | HSD17B10 (0.41) | NFKB1MAOAMAOBDYRK1AKDM4E | |
| SCHEMBL88833 | 0.73 | — | — |
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-2006000085-A1 | HEPATITIS C INHIBITOR PEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-05 | — | — | WO | disclosed |