Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 1/20 | 0.46 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.46 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.46 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | ESRRA | P11474 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11887260 | 0.85 | PARP10 (0.55) | PARP10RAB9ANPC1POLBCA12 | |
| SCHEMBL5918245 | 0.85 | HPGD (0.54) | PARP15PARP14PARP10ESRRARAB9A | |
| SCHEMBL8569015 | 0.84 | CA1 (0.55) | TNKSPARP15PARP14PARP10TNKS2 | |
| SCHEMBL14966979 | 0.82 | PRSS1 (0.47) | TNKSPARP15PARP14PARP10TNKS2 | |
| SCHEMBL13692140 | 0.81 | MAPT (0.66) | TNKSPARP15PARP14PARP10TNKS2 | |
| SCHEMBL9152540 | 0.81 | CA12 (0.58) | CYP3A4ESR1ESR2CA12CA1 | |
| SCHEMBL12804468 | 0.80 | SRD5A2 (0.59) | TNKSPARP15PARP14PARP10TNKS2 | |
| SCHEMBL68806 | 0.80 | ESR1 (0.53) | CYP3A4ESR1ESR2RAB9ANPC1 | |
| SCHEMBL21228271 | 0.80 | CA12 (0.54) | CYP3A4RAB9ANPC1CYP2C9CA12 | |
| SCHEMBL5918248 | 0.79 | PARP15 (0.55) | PARP15PARP10RAB9ACA12CA1 |
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-108341752-B | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 广东东阳光药业有限公司 | 2022-12-23 | — | — | CN | disclosed |