Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 6/20 | 0.50 |
| ▸ | MAOB | P27338 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9865352 | 0.72 | KEAP1 (0.36) | KDM4E | |
| SCHEMBL19259619 | 0.69 | MAOA (0.47) | MAOAMAOBALDH1A1KDM4EHPGD | |
| SCHEMBL9865863 | 0.68 | PKM (0.36) | MAOAMAOBALDH1A1KDM4EHPGD | |
| SCHEMBL523640 | 0.67 | MAOB (1.00) | MAOAMAOBALDH1A1KDM4EHPGD | |
| SCHEMBL11461774 | 0.67 | KDM4E (0.54) | MAOAMAOBALDH1A1KDM4EHPGD | |
| SCHEMBL29669365 | 0.66 | KDM4E (0.62) | MAOAMAOBALDH1A1KDM4EHPGD | |
| SCHEMBL4011637 | 0.66 | KDM4E (0.62) | MAOAMAOBALDH1A1KDM4EHPGD | |
| SCHEMBL15548028 | 0.66 | MAOA (0.55) | MAOAMAOBALDH1A1KDM4EHPGD | |
| SCHEMBL9865247 | 0.64 | ALDH1A1 (0.44) | MAOAALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL9865004 | 0.64 | MAOA (0.42) | MAOAMAOBALDH1A1KDM4EHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4994485-A | Seed and soil fungi, bacteria | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1991-02-19 | — | — | US | disclosed |
| EP-0234622-B1 | NEW THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1990-06-27 | — | — | EP | disclosed |
| EP-0234622-A1 | New thio compounds having fungicidal activity | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1987-09-02 | — | — | EP | disclosed |