Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRAS | P01112 | 5/20 | 0.48 |
| ▸ | ESR1 | P03372 | 5/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.48 |
| ▸ | TOP1 | P11387 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 4/20 | 0.41 |
| ▸ | CDK1 | P06493 | 4/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.41 |
| ▸ | HPSE | Q9Y251 | 3/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25857874 | 1.00 | HRAS (0.48) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL16062745 | 0.88 | HRAS (0.45) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL20485567 | 0.88 | HRAS (0.45) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL5467775 | 0.88 | HRAS (0.45) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL25857873 | 0.88 | HRAS (0.45) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL14002824 | 0.88 | HRAS (0.45) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL25852548 | 0.88 | HRAS (0.45) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL12514045 | 0.85 | P2RY12 (0.44) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL21180775 | 0.85 | P2RY12 (0.44) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL26004856 | 0.85 | P2RY12 (0.44) | HRASESR1ESR2TOP1KDM4E |
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-2021137646-A1 | PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF | 주식회사 레고켐바이오사이언스 | 2021-07-08 | — | — | WO | disclosed |