Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | METAP1 | P53582 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26551636 | 0.80 | CCNB2 (0.43) | CYP1A2CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL13312330 | 0.78 | APP (0.50) | CYP1A2CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL25431149 | 0.78 | RAB9A (0.53) | LMNASMN1; SMN2L3MBTL1MAPTKDM4E | |
| SCHEMBL26550441 | 0.77 | RAB9A (0.43) | CYP1A2CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL11965498 | 0.76 | LRRK2 (0.42) | CYP1A2CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL2623420 | 0.74 | KDM4E (0.46) | CYP1A2CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL12890236 | 0.73 | CDK5 (0.38) | CYP1A2CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL29376325 | 0.73 | PIN1 (0.57) | CYP1A2CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL1528433 | 0.73 | PIN1 (0.57) | CYP1A2CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL26547901 | 0.73 | ROCK2 (0.46) | LMNASMN1; SMN2MAPTKDM4ENPC1 |
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-2023196975-A1 | COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE | SHY THERAPEUTICS, LLC (US) | 2023-10-12 | — | — | WO | disclosed |