Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | JAK2 | O60674 | 2/20 | 0.46 |
| ▸ | FLT3 | P36888 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL34464795 | 0.84 | CYP2C9 (0.49) | CYP2C9CYP2C19GAASMN1; SMN2KDM4E | |
| SCHEMBL27819575 | 0.83 | POLB (0.49) | HDAC1HDAC2 | |
| Hydrochloric Acid SCHEMBL27819515 | 0.82 | POLB (0.51) | HDAC1HDAC2 | |
| SCHEMBL23445928 | 0.76 | PIK3C3 (0.50) | CYP2C9CYP2C19GAASMN1; SMN2KDM4E | |
| SCHEMBL34464822 | 0.71 | JAK2 (0.50) | JAK2HDAC3HDAC1HDAC2 | |
| SCHEMBL27838930 | 0.71 | SCN9A (0.46) | CYP2C19GAASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL2475796 | 0.71 | GAA (0.73) | CYP2C9CYP2C19GAASMN1; SMN2NPC1 | |
| SCHEMBL17187727 | 0.71 | CYP2C9 (0.60) | CYP2C9CYP2C19GAASMN1; SMN2KDM4E | |
| SCHEMBL24883483 | 0.70 | GSK3B (0.49) | CYP2C9CYP2C19GAASMN1; SMN2KDM4E | |
| SCHEMBL22511353 | 0.70 | RAB9A (0.59) | CYP2C9CYP2C19GAASMN1; SMN2KDM4E |
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-102174024-A | 2,4-pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS INC | 2011-09-07 | — | — | CN | disclosed |
| CN-1625400-B | 2, 4-pyrimidinediamine compounds and uses thereof | RIGEL PHARMACEUTICALS INC | 2011-04-13 | — | — | CN | disclosed |