Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23040993 | 0.84 | MAPT (0.39) | DHODHMAPTALDH1A1CYP1A2HPGD | |
| SCHEMBL23051055 | 0.84 | DHODH (0.43) | DHODHNR4A2MAPTPARP1TNKS | |
| SCHEMBL29417337 | 0.84 | DHODH (0.43) | DHODHNR4A2MAPTPARP1TNKS | |
| SCHEMBL23040824 | 0.84 | NR4A2 (0.44) | DHODHNR4A2PARP1TNKSTNKS2 | |
| SCHEMBL29417284 | 0.81 | CYP1A1 (0.43) | DHODHNR4A2PARP1TNKSTNKS2 | |
| SCHEMBL23040847 | 0.81 | CYP1A1 (0.43) | DHODHNR4A2PARP1TNKSTNKS2 | |
| SCHEMBL23040965 | 0.77 | SMN1; SMN2 (0.41) | DHODHMAPTLMNATP53ALDH1A1 | |
| SCHEMBL23040855 | 0.76 | NR4A2 (0.40) | DHODHNR4A2MAPTPARP1TNKS | |
| SCHEMBL23040817 | 0.75 | MRGPRX4 (0.57) | TP53HPGDSMN1; SMN2 | |
| SCHEMBL29417307 | 0.75 | MRGPRX4 (0.57) | TP53HPGDSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021063856-A1 | SUBSTITUTED 3,4-DIHYDROQUINAZOLINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2021-04-08 | — | — | WO | disclosed |