Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP1 | O94782 | 2/20 | 0.49 |
| ▸ | WDR48 | Q8TAF3 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | CLK2 | P49760 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7071470 | 0.90 | USP1 (0.51) | USP1WDR48HDAC6HDAC3HDAC1 | |
| SCHEMBL7066909 | 0.81 | ADORA2A (0.48) | HPGD | |
| SCHEMBL7254519 | 0.77 | NPC1 (0.52) | HPGDCLK4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7068349 | 0.77 | CA1 (0.48) | USP1WDR48ALDH1A1CA1CA2 | |
| SCHEMBL8346496 | 0.73 | POLB (0.46) | POLBALDH1A1TSHRRAB9A | |
| SCHEMBL7257480 | 0.71 | USP1 (0.59) | USP1WDR48HPGDCLK4CYP1A2 | |
| SCHEMBL7254511 | 0.70 | LMNA (0.56) | HPGDCLK4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1064735 | 0.69 | CA1 (0.60) | HDAC1HPGDPKMALDH1A1CA1 | |
| SCHEMBL7071101 | 0.69 | ADORA2A (0.53) | — | |
| SCHEMBL8924338 | 0.68 | CYP4A11 (0.59) | HPGDPOLBALDH1A1RAB9A |
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-2003055489-A1 | 2,4-DIAMINO-PYRIMIDINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-07-10 | — | — | WO | disclosed |