Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | PRKDC | P78527 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29283864 | 0.92 | ALDH1A1 (0.57) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29283867 | 0.92 | ALDH1A1 (0.57) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL31065687 | 0.89 | PRKDC (0.53) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL31065681 | 0.88 | ALDH1A1 (0.57) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL31065689 | 0.88 | ALDH1A1 (0.66) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL31065683 | 0.86 | NPSR1 (0.68) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL31065690 | 0.84 | ALDH1A1 (0.64) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL31065676 | 0.82 | ALDH1A1 (0.67) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL31065685 | 0.81 | PIK3CD (0.55) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2882583 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 |
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-118561810-A | Medicament for preventing and treating tea tree fungal diseases and preparation method thereof | 贵州大学 | 2024-08-30 | — | — | CN | claimed |
| CN-118561810-A | Medicament for preventing and treating tea tree fungal diseases and preparation method thereof | 贵州大学 | 2024-08-30 | — | — | CN | disclosed |