Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11108594 | 0.82 | CYP1A2 (0.45) | KMT2ATSHRALDH1A1CYP3A4HSP90AA1 | |
| SCHEMBL11113388 | 0.82 | CYP1A2 (0.51) | KMT2ATSHRALDH1A1CYP3A4HSP90AA1 | |
| SCHEMBL1169205 | 0.76 | KMT2A (0.44) | KMT2ATSHRALDH1A1CYP3A4TDP1 | |
| SCHEMBL8795717 | 0.73 | ABCC9 (0.45) | KMT2ATSHRALDH1A1CYP3A4TDP1 | |
| SCHEMBL28301339 | 0.72 | HSP90AA1 (0.40) | KMT2ATSHRALDH1A1TDP1GAA | |
| SCHEMBL9767148 | 0.71 | HIF1A (0.39) | KMT2ATSHRALDH1A1CYP3A4TDP1 | |
| SCHEMBL4672232 | 0.71 | SIRT2 (0.44) | KMT2ATSHRALDH1A1SIRT2SIRT1 | |
| SCHEMBL9767152 | 0.71 | HIF1A (0.39) | KMT2ATSHRALDH1A1CYP3A4TDP1 | |
| SCHEMBL28863681 | 0.70 | ALDH1A1 (0.41) | TSHRALDH1A1CYP3A4TDP1HSP90AA1 | |
| SCHEMBL6035025 | 0.70 | HSP90AA1 (0.44) | KMT2ATSHRALDH1A1HSP90AA1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1471915-A4 | 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES | RIGEL PHARMACEUTICALS INC (US) | 2006-02-15 | — | — | EP | disclosed |
| EP-1471915-A2 | 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES | Rigel Pharmaceuticals, Inc. (US) | 2004-11-03 | — | — | EP | disclosed |
| WO-2003063794-A2 | 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES | RIGEL PHARMACEUTICALS, INC. (US) | 2003-08-07 | — | — | WO | disclosed |