Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 9/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.62 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.57 |
| ▸ | ABCG2 | Q9UNQ0 | 7/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31663591 | 0.91 | ABCG2 (0.62) | ADORA1ADORA2AABCG2ABCB1TSHR | |
| SCHEMBL31042623 | 0.89 | HRH4 (0.59) | ADORA1ADORA2AADORA3ADORA2BPOLB | |
| SCHEMBL22106575 | 0.89 | ABCG2 (0.60) | ABCG2ABCB1TSHRABCC1 | |
| SCHEMBL22360641 | 0.89 | ABCG2 (0.60) | ABCG2ABCB1TSHRABCC1 | |
| SCHEMBL20396079 | 0.89 | ABCG2 (0.60) | ABCG2ABCB1TSHRABCC1 | |
| SCHEMBL23383850 | 0.89 | ABCG2 (0.60) | ABCG2ABCB1TSHRABCC1 | |
| SCHEMBL23384091 | 0.89 | ABCG2 (0.60) | ABCG2ABCB1TSHRABCC1 | |
| SCHEMBL23383904 | 0.89 | ABCG2 (0.60) | ABCG2ABCB1TSHRABCC1 | |
| SCHEMBL22883053 | 0.89 | ABCG2 (0.60) | ABCG2ABCB1TSHRABCC1 | |
| SCHEMBL19939303 | 0.89 | ABCG2 (0.60) | ABCG2ABCB1TSHRABCC1 |
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-2021135181-A1 | NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC DEVICE | 陕西莱特光电材料股份有限公司 | 2021-07-08 | — | — | WO | disclosed |