Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | VCP | P55072 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ECE1 | P42892 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | BCR | P11274 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17479068 | 0.91 | ABL1 (0.39) | KDM4EMAPTECE1ADORA1ADORA2A | |
| SCHEMBL8166287 | 0.80 | KDM4E (0.43) | KDM4EMAPTMEN1ALDH1A1LMNA | |
| SCHEMBL17479069 | 0.79 | HCRTR1 (0.39) | KDM4EECE1ADORA1ADORA2AALDH1A1 | |
| SCHEMBL15515454 | 0.79 | CDC7 (0.43) | KDM4EMAPTECE1ADORA1ALDH1A1 | |
| SCHEMBL17874029 | 0.78 | SCN9A (0.37) | ADORA1ADORA2ANPC1RAB9AABL1 | |
| SCHEMBL16237804 | 0.75 | KMO (0.38) | VCPECE1ADORA2AMEN1KMT2A | |
| SCHEMBL16237658 | 0.74 | LTA4H (0.36) | ADORA1ADORA2A | |
| SCHEMBL19259537 | 0.68 | HCRTR1 (0.41) | MAPTECE1ADORA1ADORA2AKMT2A | |
| SCHEMBL19396111 | 0.68 | PDPK1 (0.52) | KDM4EVCPALDH1A1NPC1RAB9A | |
| SCHEMBL3352615 | 0.67 | KDM4E (0.53) | KDM4EMAPTMEN1ALDH1A1LMNA |
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-2997032-A1 | 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2016-03-23 | — | — | EP | disclosed |
| WO-2014184328-A1 | 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-20 | — | — | WO | disclosed |