Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6366409 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL3400235 | 0.74 | ALDH1A1 (0.59) | ALDH1A1TDP1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL4480875 | 0.73 | AAK1 (0.52) | ALDH1A1TDP1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL30535903 | 0.73 | ALDH1A1 (0.74) | ALDH1A1TDP1HPGDKMT2AL3MBTL1 | |
| SCHEMBL1287837 | 0.73 | ALDH1A1 (0.74) | ALDH1A1TDP1HPGDKMT2AL3MBTL1 | |
| SCHEMBL29243077 | 0.72 | FAAH (0.47) | ALDH1A1TDP1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL29337140 | 0.71 | ALDH1A1 (0.71) | ALDH1A1TDP1HPGDKMT2AL3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL9060371 | 0.71 | ALDH1A1 (0.71) | ALDH1A1TDP1HPGDKMT2AL3MBTL1 | |
| SCHEMBL30987815 | 0.71 | ALDH1A1 (0.71) | ALDH1A1TDP1HPGDKMT2AL3MBTL1 | |
| SCHEMBL6372469 | 0.71 | FAAH (0.49) | ALDH1A1TDP1MAPTHPGDSMN1; 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 |