Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL714577 | 0.81 | PDGFRB (0.42) | CYP2A6BCHEACHEPDGFRBPDGFRA | |
| SCHEMBL5303005 | 0.79 | CYP2A6 (0.51) | CYP2A6BCHEACHEPDGFRBPDGFRA | |
| SCHEMBL7260960 | 0.79 | CYP2A6 (0.57) | CYP2A6PDGFRBPDGFRABIRC5 | |
| SCHEMBL21295643 | 0.77 | NPC1 (0.49) | PDGFRBPDGFRANPC1POLBRAB9A | |
| SCHEMBL28138821 | 0.76 | CYP2A6 (0.67) | CYP2A6PDGFRBPDGFRANPC1EGFR | |
| SCHEMBL18627394 | 0.75 | NPC1 (0.53) | CYP2A6PDGFRBPDGFRANPC1KDM4E | |
| SCHEMBL21295847 | 0.74 | NPC1 (0.68) | CYP2A6NPC1KDM4EPOLBRAB9A | |
| SCHEMBL9958238 | 0.74 | CCR1 (0.50) | CYP2A6NPC1KDM4EPOLBRAB9A | |
| SCHEMBL31061468 | 0.72 | BCHE (0.57) | CYP2A6BCHEACHEALDH1A1TGFBR1 | |
| SCHEMBL38652505 | 0.71 | NPC1 (0.50) | CYP2A6PDGFRBPDGFRANPC1KDM4E |
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-2009148887-A1 | INHIBITORS OF AKT ACTIVITY | MERCK & CO., INC. (US) | 2009-12-10 | — | — | WO | claimed |