Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13562200 | 0.95 | CYP2A6 (0.42) | CYP2A6GPR3MAPTRAB9AALDH1A1 | |
| SCHEMBL18665991 | 0.90 | GPR3 (0.43) | CYP2A6GPR3MAPTRAB9AALDH1A1 | |
| SCHEMBL17382680 | 0.86 | CYP2A6 (0.44) | CYP2A6GPR3MAPTRAB9AALDH1A1 | |
| SCHEMBL17383062 | 0.85 | CYP2A6 (0.42) | CYP2A6MAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL30960396 | 0.85 | CYP2A6 (0.42) | CYP2A6MAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL19110439 | 0.85 | MAPT (0.41) | CYP2A6GPR3MAPTRAB9AALDH1A1 | |
| SCHEMBL22688539 | 0.84 | ALOX5 (0.42) | GPR3MAPTRAB9AALDH1A1HPGD | |
| SCHEMBL12269172 | 0.83 | GPR3 (0.52) | GPR3MAPTRAB9AALDH1A1HPGD | |
| SCHEMBL29903935 | 0.81 | GPR3 (0.54) | CYP2A6GPR3MAPTRAB9AALDH1A1 | |
| SCHEMBL1294668 | 0.81 | GPR3 (0.54) | CYP2A6GPR3MAPTRAB9AALDH1A1 |
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-2017030307-A1 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS COMPRISING SAME | 덕산네오룩스 주식회사 | 2017-02-23 | — | — | WO | disclosed |