Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | KRAS | P01116 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23043984 | 0.87 | KRAS (0.34) | SMYD2CYP3A4HTTSMN1; SMN2KRAS | |
| SCHEMBL31552039 | 0.85 | KRAS (0.33) | SMYD2CYP3A4HTTSMN1; SMN2KRAS | |
| SCHEMBL31683506 | 0.85 | KRAS (0.33) | SMYD2CYP3A4HTTSMN1; SMN2KRAS | |
| SCHEMBL23043562 | 0.85 | KRAS (0.35) | SMYD2CYP3A4HTTSMN1; SMN2KRAS | |
| SCHEMBL25379663 | 0.84 | KRAS (0.43) | KRAS | |
| SCHEMBL22554984 | 0.84 | KRAS (0.43) | KRAS | |
| SCHEMBL29163618 | 0.84 | KRAS (0.43) | KRAS | |
| SCHEMBL28953513 | 0.84 | KRAS (0.43) | KRAS | |
| SCHEMBL30089159 | 0.84 | KRAS (0.35) | SMYD2CYP3A4HTTSMN1; SMN2KRAS | |
| SCHEMBL27164124 | 0.84 | KRAS (0.43) | KRAS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023274383-A1 | KRAS G12D INHIBITOR AND USE THEREOF | 上海迪诺医药科技有限公司 | 2023-01-05 | — | — | WO | disclosed |