Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 2/20 | 0.53 |
| ▸ | MAOA | P21397 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 6/20 | 0.44 |
| ▸ | CA9 | Q16790 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29001884 | 1.00 | PIM1 (0.53) | PIM1MAOAMAOBACHECA12 | |
| SCHEMBL875198 | 0.85 | CA12 (0.60) | PIM1ACHECA12CA9ALDH1A1 | |
| SCHEMBL11033273 | 0.79 | CA12 (0.59) | PIM1MAOAMAOBACHECA12 | |
| Hydrogen Sulfide SCHEMBL6878722 | 0.77 | CA12 (0.57) | PIM1MAOAMAOBACHECA12 | |
| SCHEMBL23640512 | 0.77 | PIM1 (0.64) | PIM1MAOAMAOBACHECA12 | |
| SCHEMBL29322562 | 0.77 | PIM1 (0.47) | PIM1MAOAMAOBCA12CA9 | |
| SCHEMBL56836 | 0.76 | CYP2A6 (0.57) | ALDH1A1MEN1KMT2AHSD17B10CYP1A2 | |
| SCHEMBL3362663 | 0.76 | TDP1 (0.61) | MAOAMAOBCA12CA9ALDH1A1 | |
| SCHEMBL30450770 | 0.76 | TDP1 (0.61) | MAOAMAOBCA12CA9ALDH1A1 | |
| SCHEMBL30588914 | 0.76 | TDP1 (0.61) | MAOAMAOBCA12CA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116135848-A | Coumarin compound and preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2023-05-19 | — | — | CN | claimed |
| CN-116135848-B | Coumarin compound and preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2024-03-12 | — | — | CN | disclosed |
| CN-116135848-A | Coumarin compound and preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2023-05-19 | — | — | CN | disclosed |