Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
| ▸ | MERTK | Q12866 | 4/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.34 |
| ▸ | CCNK | O75909 | 4/20 | 0.34 |
| ▸ | CDK9 | P50750 | 4/20 | 0.34 |
| ▸ | CDK12 | Q9NYV4 | 4/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.34 |
| ▸ | CDK2 | P24941 | 3/20 | 0.34 |
| ▸ | FEN1 | P39748 | 2/20 | 0.34 |
| ▸ | CDK7 | P50613 | 2/20 | 0.33 |
| ▸ | CCNH | P51946 | 2/20 | 0.33 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19461895 | 0.68 | TLR8 (0.43) | — | |
| SCHEMBL27456652 | 0.66 | HTR1B (0.39) | ADORA3ADORA1KDM4EALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL27456646 | 0.66 | BCHE (0.39) | KDM4EUSP2ALDH1A1GLACYP3A4 | |
| SCHEMBL25043383 | 0.66 | MEN1 (0.40) | USP2ALDH1A1CYP3A4CASP1CASP7 | |
| Water SCHEMBL28123349 | 0.64 | TYR (0.33) | KDM4EALDH1A1CYP3A4MAPTHPGD | |
| SCHEMBL12806297 | 0.63 | RARB (0.46) | HSD17B10 | |
| SCHEMBL21549451 | 0.63 | JAK2 (0.49) | CCNT1CCNKCDK9CDK12CCNE1 | |
| Hydrochloric Acid SCHEMBL5748498 | 0.61 | BCHE (0.42) | ADORA1KDM4E | |
| SCHEMBL11826545 | 0.60 | GABRP (0.41) | ADORA3ADORA1KDM4ECYP3A4MAPT | |
| SCHEMBL1073302 | 0.59 | TAAR1 (0.58) | CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1109675-C | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2003-05-28 | — | — | CN | disclosed |
| CN-1223641-A | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 1999-07-21 | — | — | CN | disclosed |