Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 3/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | PRCP | P42785 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28026097 | 0.83 | DRD2 (0.57) | KCNH2GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL28026515 | 0.82 | DRD2 (0.52) | ADRA1AADRA1DKCNH2GRIN2DGRIN3B | |
| SCHEMBL27835971 | 0.78 | ADRA1A (0.48) | ADRA1AADRA1DKCNH2CACNA1IOPRM1 | |
| SCHEMBL13439300 | 0.77 | MAPT (0.49) | SIGMAR1MEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL2360258 | 0.76 | SIGMAR1 (0.55) | KCNH2GRIN2DGRIN3BCYP2B6SLC6A2 | |
| Hydrochloric Acid SCHEMBL2335164 | 0.75 | OPRM1 (0.56) | KCNH2GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL28026098 | 0.74 | MEN1 (0.49) | KCNH2GRIN2DGRIN3BCYP2B6SLC6A2 | |
| Tromethamine SCHEMBL4111836 | 0.72 | OPRM1 (0.46) | ADRA1AKCNH2GRIN2DGRIN3BCYP2B6 | |
| SCHEMBL2331745 | 0.71 | HRH3 (0.56) | KCNH2GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL14927136 | 0.71 | PLD2 (0.49) | MEN1KMT2ACYP2D6CYP2C19PLD2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102015683-B | The indole derivatives replaced | GRUNENTHAL GMBH (DE) | 2015-08-05 | — | — | CN | claimed |
| CN-102015683-B | The indole derivatives replaced | GRUNENTHAL GMBH (DE) | 2015-08-05 | — | — | CN | disclosed |