Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5376614 | 0.85 | ALDH1A1 (0.48) | PDCD1CD274ALDH1A1MAPK1CYP2A6 | |
| SCHEMBL29699190 | 0.83 | PDCD1 (0.47) | PDCD1CD274ALDH1A1MAPK1CYP2A6 | |
| SCHEMBL9717406 | 0.83 | PDCD1 (0.47) | PDCD1CD274ALDH1A1MAPK1CYP2A6 | |
| SCHEMBL17697636 | 0.82 | PDCD1 (0.55) | PDCD1CD274ALDH1A1CYP2A6CYP2B6 | |
| SCHEMBL2482119 | 0.80 | DPP4 (0.50) | PDCD1CD274ALDH1A1MAPK1CYP2A6 | |
| SCHEMBL11565506 | 0.80 | PDCD1 (0.44) | PDCD1CD274ALDH1A1MAPK1CYP2A6 | |
| SCHEMBL6546459 | 0.78 | PDCD1 (0.43) | PDCD1CD274ALDH1A1CYP2A6CYP2B6 | |
| SCHEMBL2991545 | 0.78 | HTR7 (0.45) | PDCD1CD274ALDH1A1MAPK1CYP2A6 | |
| SCHEMBL10972725 | 0.78 | PDCD1 (0.43) | PDCD1CD274ALDH1A1MAPK1CYP2A6 | |
| SCHEMBL5501718 | 0.78 | ALDH1A1 (0.44) | ALDH1A1MAPK1CYP2A6HPGDTSHR |
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-2013064206-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2013-05-10 | — | — | WO | disclosed |