Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 3/20 | 0.69 |
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.52 |
| ▸ | TPMT | P51580 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28363894 | 1.00 | HCAR1 (0.69) | HCAR1CA12CA1CA2CA7 | |
| SCHEMBL29664974 | 0.82 | HCAR1 (1.00) | HCAR1CA12CA1CA2CA7 | |
| SCHEMBL987044 | 0.82 | HCAR1 (1.00) | HCAR1CA12CA1CA2CA7 | |
| Diorcinol SCHEMBL28744720 | 0.82 | ALDH1A1 (0.60) | HCAR1CA2PTPN1MEN1KMT2A | |
| Diorcinol SCHEMBL29629136 | 0.82 | ALDH1A1 (0.60) | HCAR1CA2PTPN1MEN1KMT2A | |
| SCHEMBL28367094 | 0.82 | HCAR1 (0.54) | HCAR1CA12CA1CA2CA7 | |
| SCHEMBL29807406 | 0.82 | HCAR1 (0.54) | HCAR1CA12CA1CA2CA7 | |
| SCHEMBL5378908 | 0.80 | AKR1C3 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5374451 | 0.80 | PARP10 (0.56) | HCAR1CA12CA1CA2CA7 | |
| SCHEMBL16431698 | 0.78 | CYP3A4 (0.61) | HCAR1PTPN1MEN1KMT2APOLB |
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-115322169-A | Polyketone compounds, preparation method and application thereof | 自然资源部第三海洋研究所 | 2022-11-11 | — | — | CN | disclosed |
| CN-110724642-B | Polyketide from deep-sea fungi and preparation method and application thereof | 自然资源部第三海洋研究所 | 2022-08-02 | — | — | CN | disclosed |