Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29009815 | 0.85 | CYP1A2 (0.39) | CYP1A2PTPN1CYP2D6ALDH1A1TSHR | |
| SCHEMBL28147722 | 0.83 | CYP1A2 (0.45) | CYP1A2PTPN1CYP2D6ALDH1A1TSHR | |
| SCHEMBL8377940 | 0.78 | CYP1A2 (0.55) | CYP1A2PTPN1CYP2D6ALDH1A1TSHR | |
| SCHEMBL1667059 | 0.74 | CYP1A2 (0.52) | CYP1A2PTPN1CYP2D6ALDH1A1TSHR | |
| SCHEMBL10472848 | 0.72 | GRIN1 (0.44) | CYP1A2PTPN1CYP2D6ALDH1A1KMT2A | |
| SCHEMBL29010021 | 0.69 | EPHX2 (0.48) | CYP1A2PTPN1ALDH1A1TSHRHSD17B10 | |
| SCHEMBL354556 | 0.69 | CYP1A2 (0.52) | CYP1A2PTPN1CYP2D6ALDH1A1TSHR | |
| SCHEMBL522914 | 0.69 | CYP1A2 (0.52) | CYP1A2PTPN1CYP2D6ALDH1A1TSHR | |
| SCHEMBL29010065 | 0.68 | CYP1A2 (0.42) | CYP1A2PTPN1CYP2D6ALDH1A1TSHR | |
| SCHEMBL31181862 | 0.68 | ALDH1A1 (0.44) | CYP1A2PTPN1CYP2D6ALDH1A1TSHR |
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-116209433-A | Small molecule albumin binding agents | 俄勒冈健康科学大学 | 2023-06-02 | — | — | CN | disclosed |