Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRAS | P01112 | 4/20 | 0.37 |
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | NR1I3 | Q14994 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18976466 | 0.84 | HRAS (0.41) | HRASESR1ESR2PRKDCDRD2 | |
| SCHEMBL18976175 | 0.78 | HRAS (0.45) | HRASESR1ESR2PRKDCCA9 | |
| SCHEMBL18976462 | 0.77 | NPC1 (0.45) | HRASESR1ESR2ACHEBACE1 | |
| SCHEMBL18976322 | 0.77 | HRAS (0.46) | HRASESR1ESR2PRKDCDRD2 | |
| SCHEMBL18976206 | 0.77 | RAB9A (0.46) | HRASESR1ESR2PRKDCCD274 | |
| SCHEMBL18976463 | 0.77 | HRAS (0.45) | HRASESR1ESR2BACE1PRKDC | |
| SCHEMBL18954276 | 0.76 | HRAS (0.40) | HRASESR1ESR2ACHEBACE1 | |
| SCHEMBL18976489 | 0.76 | AR (0.41) | HRASESR1ESR2ACHEBACE1 | |
| SCHEMBL18975996 | 0.75 | SYK (0.39) | ACHEBACE1PRKDCDRD2NR1I3 | |
| SCHEMBL22824852 | 0.74 | HRAS (0.52) | HRASESR1ESR2ACHEBACE1 |
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 |