Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 1/20 | 0.48 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.48 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.48 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.48 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.48 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30163106 | 0.88 | PSEN1 (0.48) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL29218249 | 0.88 | PSEN1 (0.48) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL4792888 | 0.78 | SCN9A (0.43) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL12253506 | 0.73 | CA9 (0.53) | CYP11B1CYP11B2SCN9AALDH1A1KDM4E | |
| SCHEMBL13329858 | 0.73 | KDM4E (0.50) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL16149626 | 0.73 | KMT2A (0.51) | MEN1KMT2AHTTNPSR1HPGD | |
| SCHEMBL2448079 | 0.72 | ALOX15 (0.57) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL24934239 | 0.72 | MAPT (0.44) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL28174365 | 0.71 | TEAD1 (0.55) | CYP11B1CYP11B2SCN9AALDH1A1KDM4E | |
| SCHEMBL17652044 | 0.71 | SMN1; SMN2 (0.64) | PSEN1PSEN2APH1BNCSTNAPH1A |
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-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |