Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.61 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.61 |
| ▸ | ITGAL | P20701 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | CRHBP | P24387 | 2/20 | 0.54 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Allylamine SCHEMBL11849659 | 0.80 | CTNNB1 (0.40) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL27796077 | 0.78 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL11519392 | 0.78 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL6791411 | 0.78 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL11406989 | 0.78 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL8518 | 0.78 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL29997436 | 0.78 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL11399163 | 0.78 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| Formaldehyde SCHEMBL27608187 | 0.76 | ITGB2 (0.82) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| Methylamine SCHEMBL3886898 | 0.76 | ITGB2 (0.82) | ITGB2ICAM1ITGALSMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1678321-A | Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS INC (US) | 2005-10-05 | — | — | CN | disclosed |