Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | RIN1 | Q13671 | 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 | |
|---|---|---|---|---|
| SCHEMBL20199969 | 0.85 | SIGMAR1 (0.35) | SIGMAR1KDM4EMDM2HSD17B10ALDH1A1 | |
| SCHEMBL20200038 | 0.81 | KDM4E (0.39) | SIGMAR1KDM4EMDM2HSD17B10ALDH1A1 | |
| SCHEMBL22112422 | 0.77 | HSD17B10 (0.34) | KDM4EHSD17B10ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL20199971 | 0.76 | ALDH1A1 (0.35) | SIGMAR1KDM4EMDM2HSD17B10ALDH1A1 | |
| SCHEMBL22069505 | 0.76 | HSD17B10 (0.37) | KDM4EHSD17B10ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL22069385 | 0.75 | SIGMAR1 (0.33) | SIGMAR1KDM4EMDM2HSD17B10ALDH1A1 | |
| SCHEMBL20199838 | 0.75 | HSD17B10 (0.33) | KDM4EHSD17B10ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL2009423 | 0.73 | SIGMAR1 (0.61) | SIGMAR1ALDH1A1TDP1 | |
| SCHEMBL20200027 | 0.72 | HSD17B10 (0.39) | SIGMAR1KDM4EMDM2HSD17B10ALDH1A1 | |
| SCHEMBL22403101 | 0.72 | HSD17B10 (0.35) | KDM4EHSD17B10ALDH1A1TDP1SMN1; 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 1 patent. 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 |