Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 2/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22042661 | 1.00 | SMN1; SMN2 (0.33) | SMN1; SMN2NPC1MAPTRAB9AF2RL3 | |
| SCHEMBL24920246 | 0.79 | PDE4A (0.32) | SMN1; SMN2NPC1MAPTRAB9AF2RL3 | |
| SCHEMBL30508933 | 0.77 | SLC6A2 (0.32) | F2RL3 | |
| SCHEMBL25321859 | 0.77 | SLC6A2 (0.32) | F2RL3 | |
| SCHEMBL25319198 | 0.70 | F2RL3 (0.38) | SMN1; SMN2MAPTF2RL3LMNATP53 | |
| SCHEMBL29549876 | 0.70 | ALDH1A1 (0.45) | SMN1; SMN2NPC1RAB9ALMNAHPGD | |
| SCHEMBL2047755 | 0.70 | ALDH1A1 (0.45) | SMN1; SMN2NPC1RAB9ALMNAHPGD | |
| SCHEMBL29549875 | 0.70 | ALDH1A1 (0.45) | SMN1; SMN2NPC1RAB9ALMNAHPGD | |
| SCHEMBL23530212 | 0.69 | TDP1 (0.40) | SMN1; SMN2NPC1MAPTRAB9APDE4A | |
| SCHEMBL29550468 | 0.69 | TDP1 (0.40) | SMN1; SMN2NPC1MAPTRAB9APDE4A |
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 |
|---|---|---|---|---|---|---|---|
| CN-113164481-B | Cycloalkane-1, 3-diamine derivatives | 第一三共株式会社 | 2024-08-30 | — | — | CN | disclosed |