Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 9/20 | 0.55 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL28717062 | 0.79 | AHR (0.74) | AHRLMNAPIK3CAPIK3CBPIK3CG | |
| SCHEMBL12682995 | 0.75 | AHR (0.57) | AHREGFRLMNAKDM4EALDH1A1 | |
| SCHEMBL12682972 | 0.75 | AHR (0.57) | AHREGFRLMNAKDM4EALDH1A1 | |
| SCHEMBL46706 | 0.74 | AHR (1.00) | AHREGFRLMNACA12CA2 | |
| SCHEMBL29501295 | 0.74 | AHR (1.00) | AHREGFRLMNACA12CA2 | |
| SCHEMBL46718 | 0.74 | AHR (1.00) | AHREGFRLMNACA12CA2 | |
| SCHEMBL2932917 | 0.74 | — | — | |
| SCHEMBL20370756 | 0.69 | AHR (0.62) | AHREGFRLMNAKDM4EMEN1 | |
| SCHEMBL47076 | 0.68 | AHR (1.00) | AHREGFRLMNANPC1CA12 | |
| SCHEMBL30434673 | 0.68 | AHR (1.00) | AHREGFRLMNANPC1CA12 |
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-2012003642-A1 | FUSED TRICYCLIC COMPOUNDS AND USE THEREOF FOR TREATING VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2012-01-12 | — | — | WO | disclosed |