Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.36 |
| ▸ | BRD7 | Q9NPI1 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27703274 | 0.95 | CYP1A2 (0.47) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL28037603 | 0.83 | ALDH1A1 (0.52) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL27866677 | 0.80 | CYP1A2 (0.40) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL15672999 | 0.80 | ALDH1A1 (0.48) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL26328449 | 0.80 | CYP1A2 (0.46) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL27968027 | 0.78 | CYP1A2 (0.44) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL10972428 | 0.77 | CYP1A2 (0.45) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL28172005 | 0.76 | CYP1A2 (0.39) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL11654321 | 0.75 | CYP1A2 (0.57) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL28211576 | 0.75 | CYP1A2 (0.55) | CYP1A2MAOAERBB2FYNACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-103204996-B | Organic electroluminescence device | MERCK PATENT GMBH (DE) | 2015-12-09 | — | — | CN | disclosed |