Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CETP | P11597 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 2/20 | 0.40 |
| ▸ | MMP3 | P08254 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5002352 | 0.83 | RORC (0.43) | CNR2LMNATSHRCETPL3MBTL1 | |
| SCHEMBL3425324 | 0.81 | LAP3 (0.46) | TSHRALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL22355354 | 0.78 | TSHR (0.38) | TSHRNPC1RAB9AMMP1HPGD | |
| SCHEMBL1655196 | 0.77 | LAP3 (0.46) | TSHRALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL10383331 | 0.76 | LAP3 (0.44) | TSHRALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL13996805 | 0.75 | HPGD (0.52) | TSHRCETPALDH1A1MEN1KMT2A | |
| SCHEMBL24673227 | 0.73 | POLB (0.40) | TSHRL3MBTL1NPC1MEN1KMT2A | |
| Alcohol SCHEMBL23296441 | 0.72 | CNR2 (0.61) | CNR2LMNATSHRL3MBTL1ALDH1A1 | |
| SCHEMBL2488080 | 0.72 | TSHR (0.69) | TSHRCETPALDH1A1CA12CA9 | |
| SCHEMBL23247987 | 0.71 | ALDH1A1 (0.50) | LMNATSHRALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022204065-A1 | IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2022-09-29 | — | — | WO | disclosed |