Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.66 |
| ▸ | TSHR | P16473 | 4/20 | 0.66 |
| ▸ | MAPT | P10636 | 6/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31065682 | 0.90 | NPSR1 (0.69) | NPSR1ALDH1A1MAPK1TSHRMAPT | |
| SCHEMBL31065688 | 0.89 | NPSR1 (0.68) | NPSR1ALDH1A1MAPK1TSHRMAPT | |
| SCHEMBL31065683 | 0.84 | NPSR1 (0.68) | NPSR1ALDH1A1MAPK1TSHRMAPT | |
| SCHEMBL27684341 | 0.81 | NPSR1 (0.55) | NPSR1ALDH1A1MAPK1TSHRMAPT | |
| SCHEMBL29283867 | 0.80 | ALDH1A1 (0.57) | NPSR1ALDH1A1MAPK1TSHRMAPT | |
| SCHEMBL31065692 | 0.80 | ALDH1A1 (0.57) | NPSR1ALDH1A1MAPK1TSHRMAPT | |
| SCHEMBL29283864 | 0.80 | ALDH1A1 (0.57) | NPSR1ALDH1A1MAPK1TSHRMAPT | |
| SCHEMBL31065684 | 0.78 | ALDH1A1 (0.61) | NPSR1ALDH1A1MAPK1TSHRMAPT | |
| SCHEMBL31065669 | 0.78 | ALDH1A1 (0.61) | NPSR1ALDH1A1MAPK1TSHRMAPT | |
| SCHEMBL3955700 | 0.78 | JAK3 (0.61) | NPSR1ALDH1A1MAPK1TSHRMAPT |
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 |