Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.75 |
| ▸ | TSHR | P16473 | 1/20 | 0.75 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | HSD11B1 | P28845 | 9/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | HSD11B2 | P80365 | 2/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13097342 | 0.98 | ALDH1A1 (0.71) | ALDH1A1TSHRHPGDSMN1; SMN2HSD11B1 | |
| SCHEMBL8314644 | 0.89 | HPGD (0.62) | ALDH1A1TSHRHPGDSMN1; SMN2HSD11B1 | |
| SCHEMBL10559542 | 0.86 | ALDH1A1 (1.00) | ALDH1A1TSHRHPGDSMN1; SMN2HSD11B1 | |
| SCHEMBL7131881 | 0.86 | ALDH1A1 (1.00) | ALDH1A1TSHRHPGDSMN1; SMN2HSD11B1 | |
| SCHEMBL3695372 | 0.84 | ALDH1A1 (0.86) | ALDH1A1TSHRHPGDSMN1; SMN2HSD11B1 | |
| SCHEMBL2386976 | 0.84 | ALDH1A1 (0.86) | ALDH1A1TSHRHPGDSMN1; SMN2HSD11B1 | |
| SCHEMBL60471 | 0.84 | ALDH1A1 (0.86) | ALDH1A1TSHRHPGDSMN1; SMN2HSD11B1 | |
| SCHEMBL1826063 | 0.84 | ALDH1A1 (0.86) | ALDH1A1TSHRHPGDSMN1; SMN2HSD11B1 | |
| SCHEMBL1309352 | 0.84 | ALDH1A1 (0.86) | ALDH1A1TSHRHPGDSMN1; SMN2HSD11B1 | |
| SCHEMBL4057588 | 0.84 | ALDH1A1 (0.86) | ALDH1A1TSHRHPGDSMN1; SMN2HSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011018417-A1 | INHIBITORS OF JNK | F. HOFFMANN-LA ROCHE AG (CH) | 2011-02-17 | — | — | WO | disclosed |
| WO-2009138340-A1 | INHIBITORS OF JNK | F. HOFFMANN-LA ROCHE AG (CH) | 2009-11-19 | — | — | WO | disclosed |