Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 2/20 | 0.37 |
| ▸ | PIM1 | P11309 | 2/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30578687 | 1.00 | SMYD3 (0.44) | SMYD3ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL30578666 | 0.87 | THRB (0.45) | ALDH1A1KDM4EMEN1NPC1LMNA | |
| SCHEMBL30578681 | 0.82 | SMYD3 (0.41) | SMYD3ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL30578684 | 0.77 | ALOX15B (0.44) | ALDH1A1KDM4ENPC1LMNAMAPT | |
| SCHEMBL16989784 | 0.75 | ALDH1A1 (0.73) | ALDH1A1KDM4ENPC1MAPTRAB9A | |
| SCHEMBL16989783 | 0.75 | ALDH1A1 (0.73) | ALDH1A1KDM4ENPC1MAPTRAB9A | |
| SCHEMBL29082664 | 0.75 | ATF4 (0.53) | SMYD3NPC1 | |
| SCHEMBL30578683 | 0.75 | ATF4 (0.53) | SMYD3NPC1 | |
| SCHEMBL16989731 | 0.74 | KDM4E (0.54) | ALDH1A1KDM4ENPC1MAPTRAB9A | |
| SCHEMBL16989730 | 0.74 | KDM4E (0.54) | ALDH1A1KDM4ENPC1MAPTRAB9A |
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-116768877-A | ISR inhibitor and preparation method and application thereof | 中国药科大学 | 2023-09-19 | — | — | CN | disclosed |