Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.49 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | CA7 | P43166 | 4/20 | 0.49 |
| ▸ | CA9 | Q16790 | 4/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.49 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14059057 | 0.86 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27464602 | 0.85 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3969049 | 0.84 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4123194 | 0.83 | SELL (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL733030 | 0.81 | CA1 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30057010 | 0.81 | CA1 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30055825 | 0.81 | ALDH1A1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31083244 | 0.80 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27777851 | 0.80 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2590792 | 0.79 | CA12 (0.53) | CA12CA1CA2CA7CA9 |
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-105884620-A | 4-Hydroxyl-1,3 di-phthalate derivatives and preparation and application thereof | 东南大学 | 2016-08-24 | — | — | CN | claimed |
| CN-105884620-A | 4-Hydroxyl-1,3 di-phthalate derivatives and preparation and application thereof | 东南大学 | 2016-08-24 | — | — | CN | disclosed |