Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 2/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL17849709 | 0.93 | TYMS (0.34) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL15909679 | 0.88 | LPL (0.38) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17849708 | 0.83 | CYP1A2 (0.37) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL15731070 | 0.83 | CYP1A2 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16604200 | 0.77 | CYP1A2 (0.45) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL17849671 | 0.77 | PDK2 (0.30) | — | |
| SCHEMBL17849651 | 0.77 | RXRA (0.31) | — | |
| SCHEMBL17849698 | 0.76 | MAOB (0.34) | MAOAALDH1A1TYMSMAPK1 | |
| SCHEMBL13888836 | 0.76 | MAOB (0.34) | MAOAALDH1A1TYMSMAPK1 | |
| SCHEMBL17849654 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9371270-B2 | Compound for organic light-emitting device and organic light-emitting device including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-06-21 | — | — | US | disclosed |
| US-9371270-B2 | Compound for organic light-emitting device and organic light-emitting device including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-06-21 | — | — | US | disclosed |