Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | BCL6 | P41182 | 2/20 | 0.49 |
| ▸ | BCOR | Q6W2J9 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | GMNN | O75496 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155589 | 0.86 | BCL6 (0.47) | TDP1MAPTBCL6BCORALDH1A1 | |
| SCHEMBL20155624 | 0.84 | BCL6 (0.60) | TDP1MAPTBCL6BCORALDH1A1 | |
| Nitric Acid SCHEMBL11144683 | 0.77 | TSHR (0.50) | TDP1MAPTALDH1A1TSHRMAPK1 | |
| SCHEMBL11333871 | 0.77 | BCL6 (0.63) | TDP1MAPTBCL6BCORALDH1A1 | |
| SCHEMBL11492017 | 0.75 | TSHR (0.62) | TDP1MAPTALDH1A1TSHRMAPK1 | |
| SCHEMBL11741174 | 0.75 | MAPK1 (0.53) | TDP1MAPTBCL6BCORALDH1A1 | |
| SCHEMBL20155101 | 0.74 | ALDH1A1 (0.47) | TDP1ALDH1A1TSHRMAPK1HTT | |
| SCHEMBL31252374 | 0.74 | MAPT (0.68) | TDP1MAPTBCL6BCORALDH1A1 | |
| SCHEMBL23779899 | 0.73 | MAPT (0.53) | TDP1MAPTBCL6BCORALDH1A1 | |
| SCHEMBL7606527 | 0.73 | PDE7A (0.70) | TSHRMAPK1LMNAHSD17B10 |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |