Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.43 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.43 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 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 | |
|---|---|---|---|---|
| SCHEMBL20187534 | 0.86 | CACNA2D1 (0.49) | DRD4CACNA1CCACNA2D1CACNA1BCACNB1 | |
| SCHEMBL20187617 | 0.81 | CACNA2D1 (0.45) | DRD4CACNA1CCACNA2D1CACNA1BCACNB1 | |
| SCHEMBL20199872 | 0.80 | DRD4 (0.42) | DRD4CACNA1CCACNA2D1CACNA1BCACNB1 | |
| SCHEMBL20199982 | 0.80 | ALDH1A1 (0.46) | DRD4ALDH1A1OPRM1SIGMAR1TACR1 | |
| SCHEMBL22112586 | 0.80 | ALDH1A1 (0.47) | ALDH1A1 | |
| SCHEMBL1387733 | 0.78 | ALDH1A1 (0.43) | DRD4CACNA1CCACNA2D1CACNA1BCACNB1 | |
| SCHEMBL22403100 | 0.78 | CACNA2D1 (0.45) | DRD4CACNA1CCACNA2D1CACNA1BCACNB1 | |
| SCHEMBL1387794 | 0.77 | MEN1 (0.42) | CACNA1CCACNA2D1CACNA1BCACNB1ALDH1A1 | |
| SCHEMBL9080067 | 0.76 | ALDH1A1 (0.42) | DRD4CACNA1CCACNA2D1CACNA1BCACNB1 | |
| SCHEMBL20200052 | 0.76 | ALDH1A1 (0.37) | DRD4ALDH1A1OPRM1SIGMAR1KDM4E |
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-2018096082-A1 | HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-31 | — | — | WO | disclosed |