Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MASP2 | O00187 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.34 |
| ▸ | CDK1 | P06493 | 3/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.34 |
| ▸ | GSK3A | P49840 | 3/20 | 0.34 |
| ▸ | GSK3B | P49841 | 3/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL10293912 | 0.83 | HSP90AA1 (0.46) | NPC1HSP90AA1L3MBTL1CCNB2CDK1 | |
| SCHEMBL13463338 | 0.74 | MASP2 (0.53) | MASP2NOD2KDM4EMEN1GMNN | |
| SCHEMBL11790193 | 0.74 | HSP90AA1 (0.43) | NPC1HSP90AA1L3MBTL1CCNB2CDK1 | |
| SCHEMBL21297747 | 0.74 | HSP90AA1 (0.43) | NPC1HSP90AA1L3MBTL1CCNB2CDK1 | |
| SCHEMBL19251194 | 0.72 | NPC1 (0.39) | NPC1HSP90AA1L3MBTL1CCNB2CDK1 | |
| SCHEMBL10303887 | 0.68 | NPC1 (0.36) | NPC1HSP90AA1L3MBTL1CCNB2CDK1 | |
| SCHEMBL14597264 | 0.68 | L3MBTL1 (0.36) | NPC1HSP90AA1L3MBTL1CCNB2CDK1 | |
| SCHEMBL17281080 | 0.67 | PDPK1 (0.40) | NPC1HSP90AA1L3MBTL1CCNB2CDK1 | |
| SCHEMBL9976522 | 0.67 | NPC1 (0.39) | NPC1HSP90AA1L3MBTL1CCNB2CDK1 | |
| SCHEMBL13889515 | 0.65 | ADRA2A (0.39) | NPC1HSP90AA1L3MBTL1CCNB2CDK1 |
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-2019238121-A1 | NIR-II EMISSIVE LUMINOGENS | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2019-12-19 | — | — | WO | disclosed |