Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 4/20 | 0.53 |
| ▸ | HEXA | P06865 | 2/20 | 0.44 |
| ▸ | HEXB | P07686 | 2/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL17545030 | 0.79 | DHFR (0.54) | DHFRHEXAHEXBTLR8CYP2D6 | |
| SCHEMBL28526953 | 0.76 | DHFR (0.54) | DHFRTLR8ALDH1A1MEN1HTR2A | |
| SCHEMBL28909381 | 0.76 | DHFR (0.54) | DHFRTLR8ALDH1A1MEN1HTR2A | |
| SCHEMBL11593834 | 0.75 | HEXA (0.81) | DHFRHEXAHEXBALDH1A1MEN1 | |
| SCHEMBL4375162 | 0.74 | DHFR (0.49) | DHFRHEXAHEXBTLR8CYP2D6 | |
| SCHEMBL1025561 | 0.73 | DHFR (0.47) | DHFRTLR8ALDH1A1MEN1KMT2A | |
| SCHEMBL1091936 | 0.73 | DHFR (0.47) | DHFRHEXAHEXBTLR8ALDH1A1 | |
| SCHEMBL2364943 | 0.73 | DHFR (0.47) | DHFRTLR8ALDH1A1MEN1KMT2A | |
| SCHEMBL21444633 | 0.73 | MAPK1 (0.53) | DHFRALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL12539378 | 0.72 | KMT2A (0.43) | DHFRALDH1A1MEN1LMNAKMT2A |
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 6 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-1534286-A1 | METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS | Rigel Pharmaceuticals, Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2005012294-A1 | 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR USE IN THE TREATMENT OR PREVENTION OF AUTOIMMUNE DISEASES | RIGEL PHARMACEUTICALS, INC. (US) | 2005-02-10 | — | — | WO | disclosed |
| EP-1471915-A2 | 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES | Rigel Pharmaceuticals, Inc. (US) | 2004-11-03 | — | — | EP | disclosed |
| WO-2004014382-A1 | METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS | RIGEL PHARMACEUTICALS (US) | 2004-02-19 | — | — | WO | disclosed |
| WO-2003063794-A2 | 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES | RIGEL PHARMACEUTICALS, INC. (US) | 2003-08-07 | — | — | WO | disclosed |