Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.96 |
| ▸ | ATM | Q13315 | 1/20 | 0.96 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | MTOR | P42345 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | VCP | P55072 | 1/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.55 |
| ▸ | AR | P10275 | 1/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | PDE4A | P27815 | 1/20 | 0.55 |
| ▸ | KDR | P35968 | 1/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| Isosafrole SCHEMBL28514793 | 1.00 | CYP3A4 (0.96) | CYP3A4ATMCYP19A1ALDH1A1HSD17B10 | |
| Isosafrole SCHEMBL7075676 | 0.98 | CYP3A4 (1.00) | CYP3A4ATMCYP19A1ALDH1A1HSD17B10 | |
| Isosafrole SCHEMBL266169 | 0.98 | CYP3A4 (1.00) | CYP3A4ATMCYP19A1ALDH1A1HSD17B10 | |
| Isosafrole SCHEMBL1760685 | 0.98 | CYP3A4 (1.00) | CYP3A4ATMCYP19A1ALDH1A1HSD17B10 | |
| Isosafrole SCHEMBL14764127 | 0.98 | CYP3A4 (1.00) | CYP3A4ATMCYP19A1ALDH1A1HSD17B10 | |
| Isosafrole SCHEMBL345862 | 0.98 | CYP3A4 (1.00) | CYP3A4ATMCYP19A1ALDH1A1HSD17B10 | |
| Isosafrole SCHEMBL30302237 | 0.98 | CYP3A4 (1.00) | CYP3A4ATMCYP19A1ALDH1A1HSD17B10 | |
| Isosafrole SCHEMBL29365996 | 0.98 | CYP3A4 (1.00) | CYP3A4ATMCYP19A1ALDH1A1HSD17B10 | |
| Isosafrole SCHEMBL10931493 | 0.90 | CYP3A4 (0.83) | CYP3A4ATMCYP19A1ALDH1A1HSD17B10 | |
| Isosafrole SCHEMBL30302238 | 0.88 | CYP3A4 (0.81) | CYP3A4ATMCYP19A1ALDH1A1HSD17B10 |
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-112159826-B | Method for improving tacrolimus yield | 浙江工业大学 | 2022-05-24 | — | — | CN | disclosed |
| CN-112159826-A | Method for improving tacrolimus yield | 浙江工业大学 | 2021-01-01 | — | — | CN | disclosed |