Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.50 |
| ▸ | NOS3 | P29474 | 2/20 | 0.47 |
| ▸ | NOS1 | P29475 | 2/20 | 0.47 |
| ▸ | NOS2 | P35228 | 2/20 | 0.47 |
| ▸ | GLB1 | P16278 | 1/20 | 0.44 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.44 |
| ▸ | CTRC | Q99895 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29832640 | 1.00 | MEN1 (0.55) | MEN1NPC1KMT2ACA12CA2 | |
| SCHEMBL9362872 | 0.88 | NOS1 (0.56) | NOS3NOS1NOS2ENPP2CHRNA7 | |
| SCHEMBL9362866 | 0.88 | NOS1 (0.56) | NOS3NOS1NOS2ENPP2CHRNA7 | |
| SCHEMBL29832620 | 0.84 | MAPT (0.53) | MEN1NPC1KMT2ACA12CA2 | |
| SCHEMBL28448456 | 0.84 | MAPT (0.53) | MEN1NPC1KMT2ACA12CA2 | |
| SCHEMBL11692422 | 0.82 | MEN1 (0.73) | MEN1NPC1KMT2ACA12CA2 | |
| SCHEMBL11692429 | 0.82 | MEN1 (0.73) | MEN1NPC1KMT2ACA12CA2 | |
| SCHEMBL14352338 | 0.80 | NPC1 (0.56) | MEN1NPC1KMT2ACA12CA2 | |
| SCHEMBL14352337 | 0.80 | NPC1 (0.56) | MEN1NPC1KMT2ACA12CA2 | |
| SCHEMBL30403224 | 0.80 | NOS1 (0.43) | MEN1NPC1KMT2ACA12CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111467500-B | Low-oxygen dual-targeting AGT inhibitor conjugate and preparation method and application thereof | 北京工业大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-111467500-A | Low-oxygen dual-targeting AGT inhibitor conjugate and preparation method and application thereof | 北京工业大学 | 2020-07-31 | — | — | CN | disclosed |