Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.44 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9669350 | 0.93 | HTR2A (0.40) | TSHRCACNA2D1CACNB2CACNA1CHTR2A | |
| SCHEMBL2519799 | 0.86 | TSHR (0.52) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL2801832 | 0.86 | TSHR (0.52) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL17845069 | 0.82 | APP (0.48) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL7592292 | 0.81 | CACNA2D1 (0.47) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL2683355 | 0.81 | TSHR (0.44) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL11213850 | 0.81 | TSHR (0.53) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL29288285 | 0.81 | TSHR (0.44) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL29288277 | 0.81 | IDO1 (0.42) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL9132972 | 0.79 | SLC6A2 (0.47) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 |
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-110678532-B | Organic photochromic dye and use thereof for dye sensitized solar cells | 法国原子能源和替代能源委员会 | 2023-11-03 | — | — | CN | disclosed |
| CN-110678532-A | Organic photochromic dye and application thereof in dye-sensitized solar cell | 法国原子能源和替代能源委员会 | 2020-01-10 | — | — | CN | disclosed |