Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 11/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL954203 | 0.74 | TAAR1 (0.54) | NISCHADRA1DLMNATSHRCYP1A2 | |
| SCHEMBL8832471 | 0.66 | NISCH (1.00) | NISCHMAOBMAOAADRA1DALDH1A1 | |
| SCHEMBL4629870 | 0.66 | TAAR1 (0.51) | ADRA1DLMNATSHRCYP1A2ADRA2A | |
| SCHEMBL9369709 | 0.64 | NISCH (0.48) | NISCHMAOBMAOAADRA1DTSHR | |
| SCHEMBL19880023 | 0.61 | HTR1D (0.49) | NISCHADRA1DLMNATSHRCYP1A2 | |
| SCHEMBL8203361 | 0.61 | NISCH (0.75) | NISCHMAOBMAOALMNAALDH1A1 | |
| SCHEMBL4821398 | 0.60 | ADRA1D (0.47) | ADRA1DLMNATSHRKDM4E | |
| SCHEMBL17887848 | 0.60 | NISCH (0.60) | NISCHMAOBMAOAADRA2AADRA2B | |
| SCHEMBL8205384 | 0.60 | NISCH (0.73) | NISCHMAOBMAOAADRA1DADRA2A | |
| SCHEMBL559559 | 0.60 | TAAR1 (0.56) | ADRA1DLMNATSHRALDH1A1ADRA2A |
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-5017591-A | Enzyme inhibitors | MERRELL DOW PHARMACEUTICALS (US) | 1991-05-21 | — | — | US | disclosed |
| US-4929744-A | DEHYDROHALOGENATION, SODIUM HYDROXIDE BASE, ETHANOL SOLVENT | MERRELL DOW PHARMACEUTICALS (US) | 1990-05-29 | — | — | US | disclosed |