Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.38 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1074920 | 0.80 | ALDH1A1 (0.42) | ALDH1A1HTTHSD17B10EPHX2SMN1; SMN2 | |
| SCHEMBL1075154 | 0.80 | CDK2 (0.44) | ALDH1A1HTTHSD17B10EPHX2SMN1; SMN2 | |
| SCHEMBL3709518 | 0.69 | HTT (0.53) | ALDH1A1HTTHSD17B10EPHX2SMN1; SMN2 | |
| SCHEMBL964051 | 0.67 | SMN1; SMN2 (0.63) | ALDH1A1HTTEPHX2SMN1; SMN2RAB9A | |
| SCHEMBL964050 | 0.67 | SMN1; SMN2 (0.63) | ALDH1A1HTTEPHX2SMN1; SMN2RAB9A | |
| SCHEMBL903169 | 0.65 | — | — | |
| SCHEMBL2642559 | 0.64 | — | — | |
| SCHEMBL18469877 | 0.64 | — | — | |
| SCHEMBL19798426 | 0.64 | CNR1 (0.51) | ALDH1A1HTTHSD17B10EPHX2SMN1; SMN2 | |
| SCHEMBL1332997 | 0.63 | ALDH1A1 (1.00) | ALDH1A1HTTHSD17B10EPHX2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006119295-A2 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | COMBINATORX, INCORPORATED (US) | 2006-11-09 | — | — | WO | disclosed |