Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 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 | |
|---|---|---|---|---|
| SCHEMBL19568157 | 0.87 | ALDH1A1 (0.44) | TSHRCYP19A1SLC6A2SLC6A4MAPT | |
| SCHEMBL7528264 | 0.81 | TSHR (0.44) | TSHRMAPTALDH1A1HSD17B10KDM4E | |
| SCHEMBL151809 | 0.80 | SLC6A4 (0.54) | TSHRCYP19A1SLC6A2SLC6A4MAPT | |
| SCHEMBL29668668 | 0.80 | SLC6A4 (0.54) | TSHRCYP19A1SLC6A2SLC6A4MAPT | |
| SCHEMBL11739695 | 0.80 | KCNH2 (0.43) | TSHRSLC6A2SLC6A4BCHEACHE | |
| SCHEMBL31153347 | 0.79 | TSHR (0.57) | TSHRMAPTALDH1A1HSD17B10KDM4E | |
| SCHEMBL7768256 | 0.79 | TSHR (0.57) | TSHRMAPTALDH1A1HSD17B10KDM4E | |
| SCHEMBL106062 | 0.77 | TSHR (0.50) | TSHRCYP19A1MAPTALDH1A1HTT | |
| SCHEMBL151619 | 0.77 | CYP19A1 (0.44) | TSHRCYP19A1SLC6A2SLC6A4MAPT | |
| SCHEMBL31732798 | 0.76 | TAS2R14 (0.48) | TSHRCYP19A1SLC6A2SLC6A4ALDH1A1 |
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-117024416-A | Hemicyanine compound and pharmaceutical composition, preparation method and application thereof | 中国药科大学 | 2023-11-10 | — | — | CN | disclosed |