Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30875707 | 0.90 | GAA (0.47) | S1PR5S1PR1GAACYP2D6MEN1 | |
| SCHEMBL23979207 | 0.85 | GAA (0.43) | S1PR5S1PR1GAACYP2D6MEN1 | |
| SCHEMBL23979212 | 0.84 | SIGMAR1 (0.50) | CYP2D6ALDH1A1LMNAL3MBTL1CYP3A4 | |
| SCHEMBL24047693 | 0.78 | MEN1 (0.46) | GAAMEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL1717591 | 0.78 | GAA (0.46) | S1PR5S1PR1GAACYP2D6MEN1 | |
| SCHEMBL24048266 | 0.77 | GAA (0.48) | S1PR5S1PR1GAACYP2D6MEN1 | |
| SCHEMBL23979208 | 0.77 | NR1H2 (0.44) | GAACYP2D6MEN1KMT2ATSHR | |
| SCHEMBL22235397 | 0.76 | SMN1; SMN2 (0.53) | GAAMEN1KMT2AALDH1A1MAPK1 | |
| SCHEMBL18668648 | 0.75 | S1PR5 (0.49) | S1PR5S1PR1GAACYP2D6MEN1 | |
| SCHEMBL30875727 | 0.75 | NOTUM (0.44) | CYP2D6MEN1KMT2ATSHRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113149968-B | Compound serving as ketohexokinase inhibitor and application thereof | 博济医药科技股份有限公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-114181198-A | Pyrimidine derivative ketohexokinase inhibitor and application thereof | 山东轩竹医药科技有限公司 | 2022-03-15 | — | — | CN | disclosed |
| WO-2021217734-A1 | FUSED RING COMPOUND USED AS KETOHEXOKINASE INHIBITOR | 广州博济医药生物技术股份有限公司 | 2021-11-04 | — | — | WO | disclosed |