Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.41 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | BRS3 | P32247 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15964867 | 0.88 | BRS3 (0.39) | ALDH1A1MAOBPARP15PARP14PARP10 | |
| SCHEMBL15964628 | 0.86 | BRS3 (0.43) | ALDH1A1MMP1MMP2MMP9MMP12 | |
| Hydrochloric Acid SCHEMBL20482869 | 0.85 | BRS3 (0.42) | ALDH1A1MMP1MMP2MMP9MMP12 | |
| SCHEMBL15964866 | 0.83 | CA5A (0.43) | MMP1MMP2MMP9MMP12AR | |
| SCHEMBL30091561 | 0.83 | DPP4 (0.38) | CNR2 | |
| SCHEMBL30091571 | 0.81 | CA2 (0.34) | — | |
| SCHEMBL17324405 | 0.80 | KMT2A (0.50) | ALDH1A1MMP1MMP2MMP9MMP12 | |
| SCHEMBL30091702 | 0.80 | MMP2 (0.36) | MMP1MMP2MMP9MMP12 | |
| SCHEMBL30091557 | 0.78 | CD38 (0.41) | MAOB | |
| SCHEMBL30091470 | 0.78 | IDO1 (0.43) | KMT2A |
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-113166116-B | Amido bridged heterocyclic compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2022-12-27 | — | — | CN | disclosed |