Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CCR1 | P32246 | 1/20 | 0.48 |
| ▸ | CCR5 | P51681 | 1/20 | 0.48 |
| ▸ | CCR8 | P51685 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.44 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19906099 | 1.00 | KDM4E (0.53) | KDM4EL3MBTL1ALDH1A1CCR1CCR5 | |
| SCHEMBL24316513 | 1.00 | KDM4E (0.53) | KDM4EL3MBTL1ALDH1A1CCR1CCR5 | |
| SCHEMBL17721316 | 1.00 | KDM4E (0.53) | KDM4EL3MBTL1ALDH1A1CCR1CCR5 | |
| SCHEMBL19906098 | 1.00 | KDM4E (0.53) | KDM4EL3MBTL1ALDH1A1CCR1CCR5 | |
| SCHEMBL13271138 | 0.98 | KDM4E (0.50) | KDM4EL3MBTL1ALDH1A1CCR1CCR5 | |
| SCHEMBL13805980 | 0.94 | CCR1 (0.50) | KDM4EL3MBTL1ALDH1A1CCR1CCR5 | |
| SCHEMBL30997801 | 0.90 | CCR1 (0.54) | KDM4EL3MBTL1ALDH1A1CCR1CCR5 | |
| SCHEMBL827860 | 0.90 | CCR1 (0.54) | KDM4EL3MBTL1ALDH1A1CCR1CCR5 | |
| SCHEMBL3391357 | 0.82 | CCR1 (0.54) | KDM4EL3MBTL1ALDH1A1CCR1CCR5 | |
| SCHEMBL14186223 | 0.81 | HTR2C (0.50) | KDM4EL3MBTL1ALDH1A1CCR1CCR5 |
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-2022057895-A1 | HETEROAROMATIC COMPOUNDS AND USES THEREOF | HUTCHISON MEDIPHARMA LIMITED (CN) | 2022-03-24 | — | — | WO | disclosed |