Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRAS | P01112 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | TOP1 | P11387 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | AR | P10275 | 6/20 | 0.55 |
| ▸ | POLB | P06746 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 4/20 | 0.40 |
| ▸ | CDK1 | P06493 | 4/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL20581392 | 0.86 | AR (0.62) | ARPOLBHRH3AURKACDK1 | |
| SCHEMBL20581193 | 0.85 | AR (0.61) | ARPOLBHRH3AURKACDK1 | |
| SCHEMBL14002822 | 0.81 | TOP1 (0.62) | HRASESR1TOP1ESR2POLB | |
| SCHEMBL5749627 | 0.81 | TOP1 (0.62) | HRASESR1TOP1ESR2POLB | |
| SCHEMBL5745871 | 0.81 | TOP1 (0.62) | HRASESR1TOP1ESR2POLB | |
| SCHEMBL5748174 | 0.81 | TOP1 (0.62) | HRASESR1TOP1ESR2POLB | |
| SCHEMBL5746639 | 0.80 | HRAS (0.68) | HRASESR1TOP1ESR2POLB | |
| SCHEMBL5746633 | 0.80 | HRAS (0.65) | HRASESR1TOP1ESR2POLB | |
| SCHEMBL5746729 | 0.80 | HRAS (0.65) | HRASESR1TOP1ESR2POLB | |
| SCHEMBL5746730 | 0.80 | HRAS (0.68) | HRASESR1TOP1ESR2POLB |
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-2017098257-A1 | PBD ANTIBACTERIAL AGENTS | KING'S COLLEGE LONDON (GB) | 2017-06-15 | — | — | WO | disclosed |