Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 2/20 | 0.30 |
| ▸ | CTSK | P43235 | 2/20 | 0.30 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6039639 | 0.95 | ALDH1A1 (0.38) | ALDH1A1CTSBCTSKCTSL | |
| SCHEMBL6039715 | 0.88 | MCL1 (0.31) | ALDH1A1 | |
| SCHEMBL4630957 | 0.84 | EPHX1 (0.35) | ALDH1A1KDM4EMAPT | |
| SCHEMBL4629808 | 0.80 | FFAR1 (0.36) | CTSBCTSKCTSL | |
| SCHEMBL13996836 | 0.77 | ALDH1A1 (0.36) | ALDH1A1HCRTR1HCRTR2KDM4EMAPT | |
| SCHEMBL1629750 | 0.74 | CTSL (0.41) | ALDH1A1CTSBCTSKCTSL | |
| SCHEMBL5101070 | 0.74 | FFAR1 (0.40) | CTSBCTSKCTSL | |
| SCHEMBL4630568 | 0.73 | L3MBTL1 (0.44) | ALDH1A1KDM4E | |
| SCHEMBL4158145 | 0.73 | KMT2A (0.38) | ALDH1A1MAPT | |
| SCHEMBL10244794 | 0.73 | CHRNB2 (0.41) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006038001-A1 | AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS | CELLTECH R & D LIMITED (GB) | 2006-04-13 | — | — | WO | disclosed |