Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.33 |
| ▸ | RELA | Q04206 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20040216 | 0.95 | MAOA (0.34) | MAOBMAOAALDH1A1NPC1NFKB1 | |
| SCHEMBL20040229 | 0.92 | PDK2 (0.39) | MAOBMAOAALDH1A1NPC1NFKB1 | |
| SCHEMBL20040204 | 0.89 | MAOA (0.30) | MAOBMAOA | |
| SCHEMBL20040168 | 0.80 | MAOA (0.32) | MAOBMAOAALDH1A1NPC1NFKB1 | |
| SCHEMBL20040201 | 0.80 | BTK (0.31) | MAOBMAOAALDH1A1NPC1NFKB1 | |
| SCHEMBL21335635 | 0.78 | — | — | |
| SCHEMBL20040148 | 0.78 | PDK2 (0.40) | ALDH1A1NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL24637686 | 0.77 | EGFR (0.41) | ALDH1A1HPGDNPSR1TDP1MAPT | |
| SCHEMBL21335625 | 0.77 | ESR1 (0.31) | ESR1ESR2 | |
| SCHEMBL21335616 | 0.77 | ESR1 (0.34) | SMN1; SMN2ESR1ESR2MAPT |
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 |