Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 16/20 | 0.56 |
| ▸ | HTR3A | P46098 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | DHODH | Q02127 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5621808 | 0.88 | PARP1 (0.72) | PARP1 | |
| SCHEMBL17697629 | 0.86 | CRBN (0.59) | PARP1HTR3AKDM4EHTR6 | |
| SCHEMBL5621907 | 0.84 | PARP1 (0.66) | PARP1 | |
| SCHEMBL28034101 | 0.80 | PARP1 (0.89) | PARP1 | |
| SCHEMBL7600366 | 0.77 | HTR3A (0.59) | PARP1HTR3AHTR6 | |
| SCHEMBL6869623 | 0.77 | PARP1 (0.49) | PARP1HTR3AHTR6 | |
| SCHEMBL1066810 | 0.75 | HTR3A (0.56) | PARP1HTR3AHTR6 | |
| SCHEMBL28034227 | 0.74 | HTR3A (0.51) | PARP1HTR3AHTR6 | |
| SCHEMBL5620745 | 0.74 | PARP1 (0.74) | PARP1 | |
| SCHEMBL6864445 | 0.73 | PARP1 (0.46) | PARP1HTR3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3012256-B1 | BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD AND USE THEREOF | SHANGHAI HUILUN LIFE SCIENCE & TECH CO LTD (CN) | 2018-08-08 | — | — | EP | claimed |