Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.46 |
| ▸ | APP | P05067 | 3/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.38 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.38 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.38 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.38 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.38 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.38 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL25431149 | 0.85 | RAB9A (0.53) | TNIKRAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL26547900 | 0.81 | CHEK1 (0.55) | TNIKPRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL22761274 | 0.77 | SMN1; SMN2 (0.44) | ROCK2ROCK1APPTNIKRAB9A | |
| SCHEMBL26551637 | 0.77 | APP (0.51) | ROCK2ROCK1APPTNIKRAB9A | |
| SCHEMBL2769883 | 0.74 | RAB9A (0.71) | ROCK2ROCK1TNIKRAB9ANPC1 | |
| SCHEMBL6235520 | 0.74 | PDPK1 (0.42) | ROCK2ROCK1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL26552175 | 0.73 | CYP1A2 (0.48) | RAB9ANPC1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3464281 | 0.71 | PDPK1 (0.47) | RAB9ANPC1SMN1; SMN2PDPK1ALDH1A1 | |
| SCHEMBL31672144 | 0.69 | RAB9A (0.67) | RAB9ANPC1PDPK1ALDH1A1MAPT | |
| SCHEMBL14236038 | 0.69 | TRPM8 (0.45) | — |
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 |