Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22897579 | 0.90 | TDP1 (0.45) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL23615909 | 0.90 | TDP1 (0.45) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL11725792 | 0.88 | TDP1 (0.43) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL22898024 | 0.88 | TSHR (0.50) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL22897852 | 0.87 | TDP1 (0.42) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL29559533 | 0.87 | TDP1 (0.42) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL29559481 | 0.86 | SLC6A4 (0.42) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL22897938 | 0.85 | SLC6A4 (0.44) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL18579434 | 0.85 | ALDH1A1 (0.50) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL22897898 | 0.85 | IDO1 (0.47) | TDP1CYP3A4ALOX15TP53THRB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116718689-A | Method for simultaneously and rapidly quantitatively detecting 41 primary aromatic amine compounds | 中山大学 | 2023-09-08 | — | — | CN | disclosed |