Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CTSA | P10619 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | SI | P14410 | 2/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL16236743 | 0.88 | ADORA2A (0.39) | HDAC3HDAC1HDAC6KDM4ENPC1 | |
| SCHEMBL17874036 | 0.86 | CDC7 (0.46) | KMT2AKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16237487 | 0.86 | HDAC3 (0.43) | HDAC3HDAC1HDAC6TRPM4ADORA2A | |
| SCHEMBL16237173 | 0.86 | CTSA (0.41) | HDAC3HDAC1HDAC6TRPM4CTSA | |
| SCHEMBL16237675 | 0.82 | ADORA2A (0.39) | KMT2AKDM4ENPC1RAB9ACTSA | |
| SCHEMBL17064250 | 0.82 | HCRTR1 (0.39) | KMT2ACTSAADORA2AMAPTADORA1 | |
| SCHEMBL16237698 | 0.82 | ADORA2A (0.33) | HDAC3HDAC1HDAC6CTSAADORA2A | |
| SCHEMBL16237622 | 0.80 | KMO (0.41) | TRPM4NPC1RAB9AADORA2A | |
| SCHEMBL16237522 | 0.78 | HDAC3 (0.36) | KMT2AHDAC3HDAC1HDAC6NPC1 | |
| SCHEMBL16237062 | 0.78 | ECE1 (0.34) | CTSAADORA2AECE1 |
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-3114128-A1 | NOVEL 6-FUSED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015132276-A1 | NOVEL 6-FUSED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2015-09-11 | — | — | WO | disclosed |