Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | CA12 | O43570 | 17/20 | 0.58 |
| ▸ | CA1 | P00915 | 17/20 | 0.58 |
| ▸ | CA2 | P00918 | 17/20 | 0.58 |
| ▸ | CA9 | Q16790 | 16/20 | 0.58 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18118187 | 0.82 | LMNA (0.70) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL9097181 | 0.82 | LMNA (0.70) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL10395197 | 0.81 | AKR1C3 (0.53) | ALDH1A1KDM4ELMNA | |
| SCHEMBL8193969 | 0.81 | LMNA (0.68) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL18118191 | 0.81 | LMNA (0.68) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL5722180 | 0.79 | ALDH1A1 (0.66) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL4518266 | 0.78 | ALDH1A1 (1.00) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL8517012 | 0.78 | LMNA (0.64) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL5722125 | 0.78 | ALDH1A1 (0.64) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL11811714 | 0.78 | KMT2A (0.69) | ALDH1A1LMNACA12CA1CA2 |
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-3240537-A1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2017-11-08 | — | — | EP | disclosed |
| WO-2016107832-A1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2016-07-07 | — | — | WO | disclosed |