Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | ELANE | P08246 | 2/20 | 0.34 |
| ▸ | CTSG | P08311 | 1/20 | 0.34 |
| ▸ | NMT1 | P30419 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16544649 | 0.90 | PDK2 (0.42) | PDK2SLC6A4SLC6A2SLC6A3CYP1A2 | |
| SCHEMBL16544651 | 0.88 | PDK2 (0.41) | PDK2SLC6A4SLC6A2SLC6A3CYP1A2 | |
| SCHEMBL16544647 | 0.84 | CYP1A2 (0.38) | PDK2SLC6A4SLC6A2SLC6A3CYP1A2 | |
| SCHEMBL18079822 | 0.75 | PDK2 (0.43) | PDK2CYP1A2CYP2D6ALDH1A1KDM4E | |
| SCHEMBL16544644 | 0.74 | CYP1A2 (0.43) | SLC6A4SLC6A2SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL18079825 | 0.74 | ADORA2A (0.42) | PDK2CYP1A2CYP2D6ALDH1A1KDM4E | |
| SCHEMBL22245992 | 0.73 | RHEB (0.34) | GABRA1GABRB2PDK2SLC6A4SLC6A2 | |
| SCHEMBL16544656 | 0.72 | CYP1A2 (0.42) | SLC6A4SLC6A2SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL16544648 | 0.72 | CYP1A2 (0.42) | SLC6A4SLC6A2SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL15892355 | 0.72 | PDK2 (0.36) | PDK2ALDH1A1TSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20150065730-A1 | SPIROBIFLUORENE COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2015-03-05 | — | — | US | disclosed |