Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | NMT1 | P30419 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL24587386 | 0.82 | LMNA (0.35) | CYP17A1NPSR1NMT1LMNASMN1; SMN2 | |
| SCHEMBL24587264 | 0.73 | CA12 (0.40) | CYP17A1NPSR1NMT1LMNASMN1; SMN2 | |
| SCHEMBL24501262 | 0.70 | ALDH1A1 (0.32) | NPSR1MEN1ALDH1A1KMT2A | |
| SCHEMBL24501260 | 0.64 | ALDH1A1 (0.31) | ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL21241190 | 0.64 | MAPK1 (0.34) | LMNAMEN1ALDH1A1GAAMAPT | |
| SCHEMBL21932394 | 0.63 | PDE10A (0.31) | ALDH1A1MAPT | |
| SCHEMBL20594900 | 0.63 | KDM4E (0.41) | LMNAMEN1ALDH1A1GAAMAPT | |
| SCHEMBL30128522 | 0.63 | PDE10A (0.31) | ALDH1A1MAPT | |
| SCHEMBL4374780 | 0.63 | HTR2A (0.38) | NPSR1SMN1; SMN2MEN1ALDH1A1GAA | |
| SCHEMBL9333597 | 0.62 | ACHE (0.37) | NPSR1LMNASMN1; SMN2MEN1ALDH1A1 |
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-2022135430-A1 | HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF | InventisBio Co., Ltd. (CN) | 2022-06-30 | — | — | WO | disclosed |