Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20071692 | 0.86 | ERBB2 (0.37) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL20070546 | 0.85 | KDM4E (0.50) | ALDH1A1HPGDHSD17B10KDM4EATM | |
| SCHEMBL20071470 | 0.85 | CYP1A2 (0.32) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL20071682 | 0.84 | CYP1A2 (0.37) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL20857812 | 0.81 | KDM4E (0.44) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL20070553 | 0.81 | KDM4E (0.46) | ALDH1A1HPGDHSD17B10KDM4EATM | |
| SCHEMBL16842426 | 0.80 | ERBB2 (0.36) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL20071464 | 0.80 | KDM4E (0.33) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL21717395 | 0.80 | KDM4E (0.38) | ALDH1A1HPGDKDM4EATML3MBTL1 | |
| SCHEMBL21710492 | 0.80 | ALDH1A1 (0.41) | CYP1A2ERBB2FYNMAOAACHE |
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-2018070836-A1 | COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME AND ELECTRONIC APPARATUS THEREFOR | 덕산네오룩스 주식회사 | 2018-04-19 | — | — | WO | disclosed |