Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL26547633 | 0.79 | PCSK9 (0.54) | CYP11B1CYP11B2CYP19A1CYP3A4TSHR | |
| SCHEMBL26815031 | 0.76 | CYP11B1 (0.50) | CYP11B1CYP11B2CYP19A1IDO1NCOA3 | |
| SCHEMBL13034788 | 0.76 | TSHR (0.51) | TSHRNPC1HSD17B10MAPK1 | |
| SCHEMBL24782873 | 0.76 | LMNA (0.55) | CYP19A1CYP3A4TSHRNPC1HSD17B10 | |
| SCHEMBL27368425 | 0.74 | CYP3A4 (0.50) | CYP11B1CYP11B2CYP19A1IDO1NCOA3 | |
| SCHEMBL26551517 | 0.73 | HRH4 (0.47) | HRH4CYP19A1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL950968 | 0.72 | CYP3A4 (0.52) | CYP11B1CYP11B2CYP19A1IDO1NCOA3 | |
| SCHEMBL4708730 | 0.70 | IDO1 (0.59) | CYP11B1CYP11B2CYP19A1IDO1NCOA3 | |
| SCHEMBL19719157 | 0.70 | LMNA (0.51) | CYP11B1CYP11B2CYP19A1CYP3A4TSHR | |
| SCHEMBL25493009 | 0.70 | HRH4 (0.68) | HRH4 |
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 |