Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | KMO | O15229 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CCR1 | P32246 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 1/20 | 0.45 |
| ▸ | CCR8 | P51685 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30117410 | 0.86 | RAB9A (0.56) | KDM4ERAB9AALDH1A1MAPK1NPC1 | |
| SCHEMBL7662434 | 0.83 | KDM4E (0.56) | KDM4ERAB9AALDH1A1MAPK1NPC1 | |
| SCHEMBL160064 | 0.83 | KDM4E (0.67) | KDM4ERAB9AKMOALDH1A1MAPK1 | |
| SCHEMBL21022955 | 0.80 | NPC1 (0.49) | KDM4ERAB9ANPC1CYP1A2CYP2D6 | |
| SCHEMBL2560523 | 0.79 | NISCH (0.49) | KMONISCHPIK3CDPI4KAPIK3CG | |
| SCHEMBL13541774 | 0.79 | NPC1 (0.45) | KDM4ERAB9AALDH1A1MAPK1NPC1 | |
| SCHEMBL20469169 | 0.79 | KDM4E (0.50) | KDM4ERAB9AALDH1A1MAPK1NPC1 | |
| SCHEMBL30610285 | 0.79 | NPC1 (0.47) | KDM4ERAB9ANPC1CYP1A2CYP2D6 | |
| SCHEMBL23525622 | 0.79 | NPC1 (0.47) | KDM4ERAB9ANPC1CYP1A2CYP2D6 | |
| SCHEMBL29739308 | 0.79 | KDM4E (0.50) | KDM4ERAB9AALDH1A1MAPK1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3577110-B1 | 8-OXETAN-3-YL-3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL SUBSTITUTED COMPOUNDS AS HIV INHIBITORS | GILEAD SCIENCES INC (US) | 2021-04-21 | — | — | EP | disclosed |