Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 10/20 | 0.74 |
| ▸ | CA9 | Q16790 | 10/20 | 0.74 |
| ▸ | HSD17B3 | P37058 | 5/20 | 0.70 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.70 |
| ▸ | MAOB | P27338 | 2/20 | 0.70 |
| ▸ | MAOA | P21397 | 2/20 | 0.70 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.70 |
| ▸ | SORD | Q00796 | 1/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | HPGD | P15428 | 3/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL14424515 | 0.88 | CA12 (0.75) | CA12CA9HSD17B3AKR1B1MAOB | |
| SCHEMBL28143420 | 0.85 | CA12 (0.66) | CA12CA9HSD17B3AKR1B1MAOB | |
| SCHEMBL20848068 | 0.85 | CA12 (0.70) | CA12CA9HSD17B3AKR1B1MAOB | |
| SCHEMBL30228248 | 0.85 | CA12 (0.70) | CA12CA9HSD17B3AKR1B1MAOB | |
| SCHEMBL20848057 | 0.85 | CA12 (1.00) | CA12CA9HSD17B3AKR1B1MAOB | |
| SCHEMBL22431749 | 0.85 | CA12 (0.70) | CA12CA9HSD17B3AKR1B1MAOB | |
| SCHEMBL30231613 | 0.85 | CA12 (1.00) | CA12CA9HSD17B3AKR1B1MAOB | |
| SCHEMBL22431782 | 0.85 | CA12 (1.00) | CA12CA9HSD17B3AKR1B1MAOB | |
| SCHEMBL11476090 | 0.84 | CA12 (0.68) | CA12CA9HSD17B3AKR1B1MAOB | |
| SCHEMBL2987658 | 0.83 | CA9 (1.00) | CA12CA9HSD17B3AKR1B1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-113121485-A | 3-aryl coumarin derivative and preparation method and application thereof | 中山大学 | 2021-07-16 | — | — | CN | claimed |
| CN-113121485-A | 3-aryl coumarin derivative and preparation method and application thereof | 中山大学 | 2021-07-16 | — | — | CN | disclosed |