Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 2/20 | 0.41 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 2/20 | 0.39 |
| ▸ | JAK1 | P23458 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22243284 | 0.83 | EGFR (0.47) | EGFRLMNAHTTPKMHSD17B10 | |
| SCHEMBL19917141 | 0.82 | KMT2A (0.41) | EGFRKMT2AMEN1LMNAHTT | |
| SCHEMBL23316852 | 0.80 | ADORA3 (0.33) | ADORA1ADORA3ADORA2A | |
| SCHEMBL12596651 | 0.76 | GPR119 (0.53) | KMT2AMEN1HTTADORA1MAPT | |
| SCHEMBL11617161 | 0.74 | HPGDS (0.50) | EGFRKMT2AMEN1LMNAHTT | |
| SCHEMBL24464321 | 0.71 | HPGDS (0.44) | EGFRLMNAHTTPKMHSD17B10 | |
| SCHEMBL30808262 | 0.69 | HPGDS (0.47) | EGFRKMT2AMEN1LMNAHTT | |
| SCHEMBL21138338 | 0.69 | HPGDS (0.47) | EGFRKMT2AMEN1LMNAHTT | |
| SCHEMBL21337669 | 0.69 | ADORA1 (0.35) | EGFRLMNAHTTPKMADORA1 | |
| SCHEMBL30923897 | 0.69 | BTK (0.45) | — |
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-2018038265-A1 | BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND | 田辺三菱製薬株式会社 | 2018-03-01 | — | — | WO | disclosed |