Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20188963 | 0.99 | NPSR1 (0.32) | NPSR1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL24186391 | 0.93 | NPSR1 (0.32) | NPSR1TSHR | |
| SCHEMBL22112591 | 0.92 | — | — | |
| SCHEMBL24186561 | 0.92 | — | — | |
| SCHEMBL22069453 | 0.89 | NPSR1 (0.31) | NPSR1TSHRMEN1KMT2A | |
| SCHEMBL24186640 | 0.86 | — | — | |
| SCHEMBL28858875 | 0.86 | CACNA2D1 (0.38) | NPSR1MEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL24186390 | 0.85 | NPSR1 (0.30) | NPSR1 | |
| SCHEMBL22069400 | 0.85 | KMT2A (0.40) | MEN1KMT2AALDH1A1KDM4EMDM2 | |
| SCHEMBL28858883 | 0.83 | CACNA2D1 (0.38) | NPSR1MEN1KMT2AALDH1A1SMN1; SMN2 |
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-110035996-B | Novel highly relaxant gadolinium chelates for magnetic resonance imaging | 拜耳医药股份公司 | 2022-08-09 | — | — | CN | claimed |
| CN-110035996-B | Novel highly relaxant gadolinium chelates for magnetic resonance imaging | 拜耳医药股份公司 | 2022-08-09 | — | — | CN | disclosed |