Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.31 |
| ▸ | RELA | Q04206 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | ADK | P55263 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL21335628 | 0.83 | — | — | |
| SCHEMBL20040168 | 0.81 | MAOA (0.32) | NFKB1NFKB2RELAMEN1MAPT | |
| SCHEMBL21335618 | 0.80 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL20040156 | 0.80 | MAOB (0.36) | BTKNFKB1NFKB2RELAMEN1 | |
| SCHEMBL20040216 | 0.80 | MAOA (0.34) | NFKB1NFKB2RELAMEN1MAPT | |
| SCHEMBL24637717 | 0.78 | EGFR (0.40) | MAPTKMT2AALDH1A1 | |
| SCHEMBL20040188 | 0.78 | ICAM1 (0.32) | — | |
| SCHEMBL20040229 | 0.76 | PDK2 (0.39) | BTKNFKB1NFKB2RELAMEN1 | |
| SCHEMBL20040205 | 0.76 | — | — | |
| SCHEMBL20040148 | 0.75 | PDK2 (0.40) | BTKNFKB1NFKB2RELAMEN1 |
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-3306690-A1 | ORGANIC SEMICONDUCTING COMPOUNDS | Merck Patent GmbH (DE) | 2018-04-11 | — | — | EP | disclosed |