Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.35 |
| ▸ | ACSL1 | P33121 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL212723 | 1.00 | MAOA (0.42) | MAOAMAOBALDH1A1KDM4EHSD17B10 | |
| SCHEMBL2230058 | 0.84 | MAOA (0.41) | MAOAMAOBALDH1A1KDM4EHSD17B10 | |
| SCHEMBL9058873 | 0.84 | MAOA (0.41) | MAOAMAOBALDH1A1KDM4EGAA | |
| Trifluoroacetic Acid SCHEMBL16669664 | 0.78 | MAOA (0.33) | MAOAMAOBALDH1A1KDM4EHSD17B10 | |
| SCHEMBL4539282 | 0.76 | MAOA (0.41) | MAOAMAOBOXTR | |
| SCHEMBL6818277 | 0.76 | SRD5A1 (0.41) | ALDH1A1NOTUMSRD5A2TSHRALOX15 | |
| SCHEMBL4537383 | 0.76 | TSHR (0.45) | ALDH1A1KDM4EHSD17B10GAAHPGD | |
| SCHEMBL29351770 | 0.76 | TSHR (0.45) | ALDH1A1KDM4EHSD17B10GAAHPGD | |
| SCHEMBL8665717 | 0.74 | AKR1B1 (0.38) | MAOAMAOBKDM4EGAAHPGD | |
| SCHEMBL2708309 | 0.74 | MAOA (0.38) | MAOAMAOBALDH1A1KDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3004073-A1 | 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES | Université catholique de Louvain (BE) | 2016-04-13 | — | — | EP | disclosed |
| WO-2014195507-A1 | 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES | UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) | 2014-12-11 | — | — | WO | disclosed |