Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27133236 | 0.95 | TSHR (0.47) | TSHRSMN1; SMN2RARBTHRAKDM4E | |
| SCHEMBL27029056 | 0.95 | TSHR (0.47) | TSHRSMN1; SMN2RARBTHRAKDM4E | |
| SCHEMBL27029087 | 0.95 | TSHR (0.47) | TSHRSMN1; SMN2RARBTHRAKDM4E | |
| SCHEMBL27029050 | 0.95 | TSHR (0.47) | TSHRSMN1; SMN2RARBTHRAKDM4E | |
| SCHEMBL7344311 | 0.83 | TSHR (0.54) | TSHRSMN1; SMN2ALDH1A1PLA2G4BMAPT | |
| SCHEMBL7344315 | 0.83 | TSHR (0.54) | TSHRSMN1; SMN2ALDH1A1PLA2G4BMAPT | |
| SCHEMBL27300493 | 0.82 | TSHR (0.62) | TSHRRARBALDH1A1THRAKDM4E | |
| SCHEMBL27300562 | 0.82 | TSHR (0.62) | TSHRRARBALDH1A1THRAKDM4E | |
| SCHEMBL27029071 | 0.82 | TSHR (0.62) | TSHRRARBALDH1A1THRAKDM4E | |
| SCHEMBL27300575 | 0.82 | TSHR (0.62) | TSHRRARBALDH1A1THRAKDM4E |
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-116981658-A | Novel contrast agents for magnetic resonance imaging | 拜耳股份有限公司 | 2023-10-31 | — | — | CN | disclosed |