Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | C1S | P09871 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | AGXT | P21549 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrazine SCHEMBL28341179 | 0.97 | MAOB (0.47) | MAOBCTSLALDH1A1MAPK1ACHE | |
| SCHEMBL30437684 | 0.95 | — | — | |
| SCHEMBL6204215 | 0.95 | — | — | |
| SCHEMBL63128 | 0.95 | — | — | |
| SCHEMBL18867939 | 0.95 | — | — | |
| Methylamine SCHEMBL27692684 | 0.92 | ALDH1A1 (0.48) | MAOBCTSLALDH1A1MAPK1ACHE | |
| SCHEMBL1072810 | 0.92 | — | — | |
| Magnesium SCHEMBL29442861 | 0.92 | — | — | |
| Water SCHEMBL11419851 | 0.92 | — | — | |
| Fluoride SCHEMBL25408744 | 0.92 | MAOB (0.50) | MAOBCTSLALDH1A1MAPK1ACHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114364668-B | CDK4/6 inhibitors, and salts and intermediates thereof | 甘李药业股份有限公司 | 2024-07-16 | — | — | CN | claimed |
| CN-114364668-A | CDK4/6 inhibitors, salts and intermediates thereof | 甘李药业股份有限公司 | 2022-04-15 | — | — | CN | claimed |
| CN-114364668-B | CDK4/6 inhibitors, and salts and intermediates thereof | 甘李药业股份有限公司 | 2024-07-16 | — | — | CN | disclosed |
| CN-114364668-A | CDK4/6 inhibitors, salts and intermediates thereof | 甘李药业股份有限公司 | 2022-04-15 | — | — | CN | disclosed |
| CN-107663161-B | Continuous flow synthesis process of phenylhydrazine salt and substituted phenylhydrazine salt | 上海惠和化德生物科技有限公司 | 2020-04-10 | — | — | CN | disclosed |