Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.35 |
| ▸ | CA2 | P00918 | 6/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.32 |
| ▸ | ITGAV | P06756 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26111141 | 1.00 | CA1 (0.35) | CA1CA2GAACYP1A2CYP2C9 | |
| SCHEMBL27429907 | 0.88 | CA1 (0.37) | CA1CA2GAACYP1A2CYP2C9 | |
| SCHEMBL26114266 | 0.74 | POLB (0.33) | — | |
| SCHEMBL26575440 | 0.74 | POLB (0.33) | — | |
| SCHEMBL12311030 | 0.74 | CYP1A2 (0.37) | CA1CA2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12311032 | 0.73 | AKR1C3 (0.37) | CYP1A2CYP2C9L3MBTL1ITGB3ITGB1 | |
| SCHEMBL26575340 | 0.72 | HDAC1 (0.36) | CA1CA2GAACYP1A2CYP2C9 | |
| SCHEMBL26575330 | 0.71 | ALDH1A1 (0.55) | L3MBTL1HTT | |
| SCHEMBL26112011 | 0.71 | — | — | |
| SCHEMBL26575450 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023196594-A2 | SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2023-10-12 | — | — | WO | disclosed |
| WO-2023196602-A1 | INFUSION DEVICE FOR THE PREPARATION AND DELIVERY OF MRI PROBES | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2023-10-12 | — | — | WO | disclosed |