Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | CCR1 | P32246 | 3/20 | 0.41 |
| ▸ | CCR8 | P51685 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MBNL1 | Q9NR56 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL17263265 | 0.80 | CCR1 (0.37) | CYP2A6CCR1CCR8CYP1A2PDE10A | |
| SCHEMBL17263288 | 0.79 | JAK3 (0.45) | CYP2A6CCR1CCR8CYP1A2PDE10A | |
| SCHEMBL10000613 | 0.78 | CHEK1 (0.36) | CYP2A6CCR1CCR8CYP1A2PDE10A | |
| SCHEMBL10000615 | 0.77 | MYC (0.38) | CCR1CCR8PDE10AKDM4ETDP1 | |
| SCHEMBL16062611 | 0.75 | CYP2A6 (0.48) | CYP2A6CCR1CCR8CYP1A2PDE10A | |
| SCHEMBL17691558 | 0.74 | CYP2A6 (0.55) | CYP2A6KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL16805042 | 0.74 | ABL1 (0.49) | CYP2A6CYP1A2KDM4ECYP11B1CYP11B2 | |
| SCHEMBL17263279 | 0.74 | ESR2 (0.40) | CYP2A6KDM4ENPC1ATMALDH1A1 | |
| SCHEMBL13320916 | 0.74 | CYP1A2 (0.39) | CYP2A6CYP1A2PDE10AKDM4ENPC1 | |
| SCHEMBL13863592 | 0.74 | CYP3A4 (0.49) | CYP2A6CCR1CCR8CYP1A2CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9187689-B2 | Organometallic complex and light-emitting element, light-emitting device, and electronic device using the same | SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) | 2015-11-17 | — | — | US | disclosed |