Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.51 |
| ▸ | TPH1 | P17752 | 10/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | GPR68 | Q15743 | 3/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16370342 | 0.89 | ALDH1A1 (0.49) | ADORA2AADORA1ADORA3HSP90AA1ALDH1A1 | |
| SCHEMBL28184778 | 0.84 | ADORA2A (0.58) | NPSR1ADORA2AADORA1POLBADORA3 | |
| SCHEMBL11425373 | 0.80 | NPSR1 (0.54) | NPSR1ADORA2AADORA1POLBADORA3 | |
| SCHEMBL10059800 | 0.79 | L3MBTL1 (0.47) | HSP90AA1ALDH1A1TSHRHSD17B10 | |
| SCHEMBL6269189 | 0.78 | NPSR1 (0.71) | NPSR1ADORA2AADORA1POLBADORA3 | |
| SCHEMBL9112534 | 0.78 | NPSR1 (0.51) | NPSR1ADORA2AADORA1POLBADORA3 | |
| SCHEMBL5159281 | 0.78 | NPSR1 (0.54) | NPSR1ADORA2AADORA1POLBADORA3 | |
| SCHEMBL11164961 | 0.77 | NPSR1 (0.50) | NPSR1ADORA2AADORA1POLBADORA3 | |
| SCHEMBL29560835 | 0.77 | IDH2 (0.52) | NPC1TSHRHSD17B10 | |
| SCHEMBL15102522 | 0.77 | IDH2 (0.52) | NPC1TSHRHSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105473560-B | Therapeutically active compounds and methods of use thereof | 安吉奥斯医药品有限公司 | 2020-01-17 | — | — | CN | claimed |
| CN-111087353-B | Therapeutically active compounds and methods of use thereof | 法国施维雅药厂 | 2023-10-24 | — | — | CN | disclosed |
| CN-111087353-A | Therapeutically active compounds and methods of use thereof | 安吉奥斯医药品有限公司 | 2020-05-01 | — | — | CN | disclosed |
| CN-105473560-B | Therapeutically active compounds and methods of use thereof | 安吉奥斯医药品有限公司 | 2020-01-17 | — | — | CN | disclosed |