Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.40 |
| ▸ | KHK | P50053 | 4/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30163022 | 0.81 | NPC1 (0.42) | KMT2AMAPTMEN1CYP11B2CYP11B1 | |
| SCHEMBL8372488 | 0.73 | ALDH1A1 (0.66) | KHKALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL24933448 | 0.69 | SMN1; SMN2 (0.59) | LMNAPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8541169 | 0.67 | ALDH1A1 (0.43) | KMT2AMAPTMEN1RAB9AALDH1A1 | |
| SCHEMBL28094372 | 0.67 | POLB (0.44) | MAPTLMNAALDH1A1CYP2C9 | |
| SCHEMBL13106375 | 0.66 | L3MBTL1 (0.49) | KMT2AMAPTMEN1LMNANPC1 | |
| SCHEMBL12253490 | 0.66 | NPC1 (0.72) | KMT2AMAPTMEN1LMNANPC1 | |
| SCHEMBL2549642 | 0.66 | KHK (0.57) | KMT2AMAPTMEN1LMNAKHK | |
| SCHEMBL29218170 | 0.66 | FGFR1 (0.53) | KMT2AMAPTMEN1PDE4APDE4B | |
| SCHEMBL24934296 | 0.65 | KHK (0.42) | KHKPDE4APDE4BPDE4CPDE4D |
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 |