Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 5/20 | 0.48 |
| ▸ | ATR | Q13535 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30513278 | 1.00 | CYP17A1 (0.48) | CYP17A1ATRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL27711537 | 0.84 | GAA (0.46) | CYP17A1ATRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL22111085 | 0.83 | CHRNB2 (0.48) | ATRCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL29695306 | 0.79 | NPC1 (0.58) | RAB9A | |
| SCHEMBL222110 | 0.79 | NPC1 (0.58) | RAB9A | |
| SCHEMBL20549151 | 0.79 | NAMPT (0.63) | NAMPT | |
| SCHEMBL21743165 | 0.78 | CYP1A2 (0.50) | ATRCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL22110710 | 0.77 | KMT2A (0.49) | CHRNB2CHRNB4CHRNA3CHRNA4NAMPT | |
| Bromide SCHEMBL27496198 | 0.77 | NPC1 (0.56) | RAB9A | |
| SCHEMBL5838255 | 0.76 | ATR (0.47) | CYP17A1ATRNAMPTGSK3BDYRK1A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117597346-A | NEK7 inhibitors | 哈利亚治疗公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-117425654-A | 2, 8-diazaspiro [4.5] decane compounds | 基因泰克公司 | 2024-01-19 | — | — | CN | disclosed |
| CN-116490505-A | MNK inhibitors | 和博医药有限公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-115298180-A | Compounds for treating or inhibiting recurrence of acute myeloid leukemia | 富雷旭医疗有限责任公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-114394966-A | Pyridopyrimidinone CDK2/4/6 inhibitors | 辉瑞公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-114026094-A | PRMT5 inhibitor | 印度鲁宾有限公司 | 2022-02-08 | — | — | CN | disclosed |
| CN-110325516-A | HETEROARYL COMPOUNDS AND THEIR USE | 米尼奥尔克斯治疗有限公司 | 2019-10-11 | — | — | CN | disclosed |
| CN-108349963-A | sodium channel blockers | 株式会社大熊制药 | 2018-07-31 | — | — | CN | disclosed |
| CN-104854107-A | Pyrrolopyrimidine compounds as kinase inhibitors | PHARMACYCLICS INC | 2015-08-19 | — | — | CN | disclosed |