Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP1 | O94782 | 2/20 | 0.51 |
| ▸ | WDR48 | Q8TAF3 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7071479 | 0.90 | USP1 (0.49) | USP1WDR48HDAC6HDAC3HDAC1 | |
| SCHEMBL7071101 | 0.79 | ADORA2A (0.53) | — | |
| SCHEMBL7258507 | 0.76 | HRH4 (0.55) | POLBCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7254511 | 0.75 | LMNA (0.56) | CYP1A2CYP3A4CYP2D6CYP2C19ALOX15 | |
| SCHEMBL7257480 | 0.73 | USP1 (0.59) | USP1WDR48CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11413736 | 0.71 | L3MBTL1 (0.66) | HDAC6HDAC3HDAC1HDAC2POLB | |
| SCHEMBL7066909 | 0.70 | ADORA2A (0.48) | HPGD | |
| SCHEMBL2899932 | 0.69 | KDM4C (0.53) | HDAC6HDAC3HDAC1HDAC2POLB | |
| SCHEMBL3442903 | 0.68 | KDM4C (0.53) | HDAC6HDAC3HDAC1HDAC2POLB | |
| SCHEMBL11185388 | 0.68 | HDAC1 (0.58) | HDAC6HDAC3HDAC1HDAC2POLB |
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 |