Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | METAP2 | P50579 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CLK1 | P49759 | 2/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21951135 | 0.74 | NOS1 (0.48) | HSP90AA1IDO1CDK2NOS1MAPT | |
| SCHEMBL8296672 | 0.74 | RAB9A (0.41) | HSP90AA1IDO1CDK2NOS1MAPT | |
| SCHEMBL460550 | 0.74 | HSP90AA1 (0.40) | HSP90AA1IDO1CDK2NOS1MAPT | |
| SCHEMBL503223 | 0.74 | NOS1 (0.48) | HSP90AA1IDO1CDK2NOS1MAPT | |
| SCHEMBL10806951 | 0.74 | NOS1 (0.48) | HSP90AA1IDO1CDK2NOS1MAPT | |
| SCHEMBL1495350 | 0.74 | KDM4E (0.48) | HSP90AA1IDO1CDK2NOS1MAPT | |
| SCHEMBL29509974 | 0.74 | NOS1 (0.48) | HSP90AA1IDO1CDK2NOS1MAPT | |
| SCHEMBL25156821 | 0.71 | NCF1 (0.44) | HSP90AA1IDO1CDK2NOS1MAPT | |
| SCHEMBL22941913 | 0.69 | IDO1 (0.36) | HSP90AA1IDO1CDK2NOS1MAPT | |
| SCHEMBL4443253 | 0.69 | CCR1 (0.47) | HSP90AA1IDO1CDK2NOS1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4219453-A1 | PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2023-08-02 | — | — | EP | disclosed |
| EP-3080100-B1 | INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 | CELGENE QUANTICEL RES INC (US) | 2022-11-30 | — | — | EP | disclosed |
| WO-2021018287-A1 | SPIROAROMATIC COMPOUND, PREPARATION AND APPLICATION THEREOF | 上海奕拓医药科技有限责任公司 | 2021-02-04 | — | — | WO | disclosed |