Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 3/20 | 0.45 |
| ▸ | TGM2 | P21980 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 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 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22904372 | 1.00 | TDP2 (0.45) | TDP2TGM2CES1PARP10PARP1 | |
| SCHEMBL30561519 | 0.80 | PPOX (0.55) | TDP2TGM2CES1PARP10PARP1 | |
| SCHEMBL20704216 | 0.80 | PPOX (0.55) | TDP2TGM2CES1PARP10PARP1 | |
| SCHEMBL22745703 | 0.79 | TDP2 (0.45) | TDP2TGM2CES1PARP10PARP1 | |
| SCHEMBL30462531 | 0.78 | CMA1 (0.46) | TDP2TGM2CES1AKR1A1AKR1B1 | |
| SCHEMBL16412396 | 0.78 | CMA1 (0.46) | TDP2TGM2CES1AKR1A1AKR1B1 | |
| SCHEMBL22904499 | 0.77 | TDP2 (0.47) | TDP2TGM2CES1PARP10PARP1 | |
| SCHEMBL6835467 | 0.74 | IDO1 (0.56) | TGM2CES1AKR1A1AKR1B1IDO1 | |
| SCHEMBL25467800 | 0.73 | GSK3B (0.50) | TDP2PARP1AKR1A1AKR1B1S100A4 | |
| SCHEMBL23865208 | 0.72 | PARP10 (0.50) | TDP2TGM2CES1PARP10PARP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117003755-A | Pyrazolopyridazinone derivatives, compositions and uses thereof | 北京伯汇生物技术有限公司 | 2023-11-07 | — | — | CN | disclosed |