Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 3/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7596717 | 0.74 | TDP1 (0.42) | CYP3A4TDP1ALDH1A1TP53HSD17B10 | |
| SCHEMBL379634 | 0.72 | CYP3A4 (0.41) | CYP3A4TDP1ALDH1A1TP53HSD17B10 | |
| Methane SCHEMBL28192521 | 0.72 | TDP1 (0.40) | CYP3A4TDP1ALDH1A1TP53HSD17B10 | |
| SCHEMBL6020612 | 0.70 | CYP3A4 (0.62) | CYP3A4TDP1ALDH1A1TP53HSD17B10 | |
| SCHEMBL5333327 | 0.69 | ALDH1A1 (0.37) | CYP3A4TDP1ALDH1A1TP53HSD17B10 | |
| SCHEMBL29450595 | 0.69 | CYP3A4 (0.71) | CYP3A4TDP1ALDH1A1TP53HSD17B10 | |
| Hydrochloric Acid SCHEMBL10885436 | 0.68 | ALDH1A1 (0.36) | CYP3A4TDP1ALDH1A1TP53HSD17B10 | |
| SCHEMBL2331006 | 0.68 | GCGR (0.38) | CYP3A4TDP1ALDH1A1TP53HSD17B10 | |
| SCHEMBL2407662 | 0.68 | MAOB (0.45) | CYP3A4TDP1ALDH1A1HSD17B10TAAR1 | |
| SCHEMBL9330651 | 0.68 | CYP3A4 (0.59) | CYP3A4TDP1ALDH1A1TP53HSD17B10 |
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-112213491-B | Kit for rapidly detecting drugs in hair and application of kit | 自然资源部第三海洋研究所 | 2024-04-12 | — | — | CN | disclosed |
| CN-117070795-A | Preparation method of magnetic amorphous metal nano material | 陕西中医药大学 | 2023-11-17 | — | — | CN | disclosed |