Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.37 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27382120 | 0.77 | NISCH (0.39) | NISCHCYP11B1CYP11B2GSTP1ESR1 | |
| SCHEMBL19622813 | 0.73 | P2RX7 (0.39) | NISCHALOX5KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL19534243 | 0.73 | NISCH (0.41) | NISCHKDM4ESMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL19534213 | 0.72 | NISCH (0.35) | NISCHCYP11B1CYP11B2ESR1ESR2 | |
| SCHEMBL18977333 | 0.71 | P2RX7 (0.43) | NISCHCYP1A2KDM4ESMN1; SMN2CYP2D6 | |
| SCHEMBL16615070 | 0.69 | KDM4E (0.47) | CYP1A2KDM4ECYP2D6SLC6A2SLC6A4 | |
| SCHEMBL27382317 | 0.68 | HSD17B1 (0.35) | NISCHCYP11B1CYP11B2ESR1ESR2 | |
| SCHEMBL12787062 | 0.68 | NISCH (0.43) | NISCHKDM4ESMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL18808569 | 0.68 | NISCH (0.39) | NISCHCYP11B1CYP11B2GSTP1ESR1 | |
| SCHEMBL27381887 | 0.67 | P2RX7 (0.38) | NISCHCYP11B1CYP11B2ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015142040-A1 | ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2015-09-24 | — | — | WO | disclosed |