Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 4/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.44 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22745698 | 1.00 | TDP2 (0.49) | TDP2AKR1B1AKR1A1TGM2CES1 | |
| SCHEMBL22745703 | 0.86 | TDP2 (0.45) | TDP2AKR1B1AKR1A1TGM2CES1 | |
| SCHEMBL24895323 | 0.79 | TDP2 (0.43) | TDP2AKR1B1AKR1A1TGM2CES1 | |
| SCHEMBL31189195 | 0.78 | TDP2 (0.45) | TDP2AKR1B1AKR1A1TGM2CES1 | |
| SCHEMBL22746064 | 0.78 | TDP2 (0.45) | TDP2AKR1B1AKR1A1TGM2CES1 | |
| SCHEMBL246962 | 0.78 | IDO1 (0.56) | AKR1B1KDM4EALDH1A1MAPTPDK2 | |
| SCHEMBL24894969 | 0.77 | TDP2 (0.51) | TDP2AKR1B1AKR1A1TGM2CES1 | |
| SCHEMBL12177743 | 0.77 | S100A4 (0.50) | TDP2AKR1B1AKR1A1TGM2CES1 | |
| SCHEMBL1476086 | 0.76 | TDP2 (0.46) | TDP2AKR1B1AKR1A1TGM2CES1 | |
| SCHEMBL204806 | 0.76 | PDK2 (0.44) | TDP2AKR1B1AKR1A1TGM2CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113874369-B | 1,3, 4-Oxadiazole homophthalimide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same | 株式会社 钟根堂 | 2024-08-27 | — | — | CN | disclosed |
| CN-117940120-A | Compounds, compositions, and methods | 戴纳立制药公司 | 2024-04-26 | — | — | CN | disclosed |