Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MLYCD | O95822 | 1/20 | 0.30 |
| ▸ | THRA | P10827 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL5063477 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TSHRLMNACA12CA9 | |
| SCHEMBL318240 | 0.78 | — | — | |
| SCHEMBL11374052 | 0.78 | ALDH1A1 (0.39) | ALDH1A1TSHRLMNACA12CA9 | |
| SCHEMBL1039434 | 0.77 | ALDH1A1 (0.43) | ALDH1A1TRPA1LMNACA12CA9 | |
| SCHEMBL20187626 | 0.77 | AKT1 (0.33) | ALDH1A1TSHRTRPA1 | |
| SCHEMBL11449886 | 0.76 | ALDH1A1 (0.44) | ALDH1A1TSHRLMNACA12CA9 | |
| SCHEMBL13844086 | 0.75 | CA12 (0.61) | ALDH1A1TSHRLMNACA12CA9 | |
| SCHEMBL9633149 | 0.74 | LMNA (0.48) | ALDH1A1TSHRLMNAHSD17B10MEN1 | |
| SCHEMBL3222777 | 0.74 | ALDH1A1 (0.43) | ALDH1A1TSHRLMNACA12CA9 | |
| SCHEMBL5933121 | 0.74 | ALDH1A1 (0.43) | ALDH1A1TSHRLMNATHRBBLM |
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 |
|---|---|---|---|---|---|---|---|
| EP-3544964-B1 | HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING | Bayer Pharma AG (DE) | 2020-06-17 | — | — | EP | disclosed |
| WO-2018096082-A1 | HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-31 | — | — | WO | disclosed |