Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.30 |
| ▸ | CHRNG | P07510 | 1/20 | 0.30 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRND | Q07001 | 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 | |
|---|---|---|---|---|
| SCHEMBL20629280 | 0.78 | ALDH1A1 (0.40) | CYP3A4GAA | |
| SCHEMBL21092858 | 0.73 | CYP2A6 (0.45) | CYP1A2CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL21846149 | 0.64 | CYP19A1 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL14040684 | 0.62 | — | — | |
| SCHEMBL12463815 | 0.62 | — | — | |
| SCHEMBL22328751 | 0.62 | HSD17B10 (0.43) | CYP3A4GAA | |
| SCHEMBL17345755 | 0.61 | WDR5 (0.41) | CYP2C19 | |
| SCHEMBL18888324 | 0.61 | — | — | |
| SCHEMBL19048920 | 0.61 | CYP2D6 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL16040917 | 0.60 | CCNC (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3561894-A1 | DIAMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | Samsung Display Co., Ltd. (KR) | 2019-10-30 | — | — | EP | disclosed |