Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ADCY10 | Q96PN6 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27203536 | 0.88 | MAPK1 (0.45) | SMN1; SMN2TP53MAPTRAB9AALDH1A1 | |
| SCHEMBL20689450 | 0.79 | MAPK1 (0.47) | SMN1; SMN2MAPTRAB9AALDH1A1MEN1 | |
| SCHEMBL20696803 | 0.79 | SMN1; SMN2 (0.43) | SMN1; SMN2TP53MAPTRAB9AALDH1A1 | |
| SCHEMBL20689113 | 0.76 | TYK2 (0.44) | SMN1; SMN2TP53MAPTRAB9AALDH1A1 | |
| SCHEMBL29112547 | 0.73 | SMN1; SMN2 (0.37) | SMN1; SMN2MAPTRAB9AADCY10ALDH1A1 | |
| SCHEMBL21246100 | 0.73 | SMN1; SMN2 (0.47) | SMN1; SMN2BRD4TP53MAPTRAB9A | |
| SCHEMBL20689640 | 0.72 | KDM4E (0.46) | SMN1; SMN2TP53MAPTRAB9AALDH1A1 | |
| SCHEMBL20688889 | 0.71 | KDM4E (0.53) | SMN1; SMN2MAPTRAB9AALDH1A1MEN1 | |
| SCHEMBL27203447 | 0.70 | SMN1; SMN2 (0.36) | SMN1; SMN2MAPTRAB9AADCY10ALDH1A1 | |
| SCHEMBL19895659 | 0.69 | ALDH1A1 (0.43) | SMN1; SMN2TP53MAPTALDH1A1MEN1 |
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-116829562-A | Macrocyclic compound, pharmaceutical composition and application thereof | 深圳国顺康医药科技有限公司 | 2023-09-29 | — | — | CN | disclosed |