Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 3/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.39 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19497715 | 0.97 | CTSA (0.43) | CTSAERN1AKR1C3AKR1C2APP | |
| SCHEMBL20342951 | 0.93 | RARG (0.38) | CTSAERN1AKR1C3AKR1C2RARG | |
| SCHEMBL18699599 | 0.93 | RARG (0.38) | CTSAERN1AKR1C3AKR1C2RARG | |
| SCHEMBL20365984 | 0.90 | RARG (0.36) | CTSAERN1AKR1C3AKR1C2RARG | |
| SCHEMBL19498703 | 0.90 | RARG (0.36) | CTSAERN1AKR1C3AKR1C2RARG | |
| SCHEMBL18473143 | 0.90 | ERN1 (0.42) | CTSAERN1AKR1C3AKR1C2APP | |
| SCHEMBL15495199 | 0.89 | POLB (0.38) | CTSAERN1AKR1C3AKR1C2RARG | |
| SCHEMBL19158936 | 0.88 | RARG (0.37) | RARGAPPCYP2C19FFAR1POLB | |
| SCHEMBL21004634 | 0.88 | RARG (0.37) | RARGAPPCYP2C19FFAR1POLB | |
| SCHEMBL26044754 | 0.87 | CTSA (0.39) | CTSAERN1AKR1C3AKR1C2RARG |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3660128-A1 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2020-06-03 | — | — | EP | disclosed |
| EP-3428246-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-04-15 | — | — | EP | disclosed |
| EP-3067406-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2019-04-24 | — | — | EP | disclosed |
| EP-3083408-B1 | FILLING DEVICE AND USE THEREOF FOR FILLING A FLUID | MERCK PATENT GMBH (DE) | 2018-02-21 | — | — | EP | disclosed |