Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 3/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.40 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.40 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3759580 | 1.00 | TSHR (0.50) | TSHRHSD17B10ALDH1A1CYP3A4TDP1 | |
| SCHEMBL407449 | 0.82 | TSHR (0.50) | TSHRHSD17B10VCAM1CA12CA2 | |
| SCHEMBL217250 | 0.78 | CA12 (0.52) | TSHRHSD17B10ALDH1A1CYP3A4CA12 | |
| SCHEMBL29449995 | 0.78 | CA12 (0.52) | TSHRHSD17B10ALDH1A1CYP3A4CA12 | |
| SCHEMBL825866 | 0.78 | VCAM1 (0.53) | TSHRHSD17B10ALDH1A1CYP3A4VCAM1 | |
| SCHEMBL11092340 | 0.77 | HSD17B10 (0.50) | TSHRHSD17B10ALDH1A1CYP3A4TDP1 | |
| SCHEMBL23271632 | 0.76 | CA12 (0.50) | TSHRHSD17B10ALDH1A1CYP3A4CA12 | |
| SCHEMBL28759539 | 0.76 | CA12 (0.50) | TSHRHSD17B10ALDH1A1CYP3A4CA12 | |
| Bromide SCHEMBL28616524 | 0.76 | CA12 (0.50) | TSHRHSD17B10ALDH1A1CYP3A4CA12 | |
| SCHEMBL34461940 | 0.76 | CA12 (0.50) | TSHRHSD17B10ALDH1A1CYP3A4CA12 |
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-118465140-B | Rapid detection method for aromatic nitrogen-containing disinfection byproducts in biological tissues | 同济大学 | 2024-11-05 | — | — | CN | disclosed |
| CN-118465140-A | Rapid detection method for aromatic nitrogen-containing disinfection byproducts in biological tissues | 同济大学 | 2024-08-09 | — | — | CN | disclosed |