Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1516954 | 0.86 | ALDH1A1 (0.50) | ALDH1A1KDM4ELMNAHTTNPC1 | |
| Trifluoroacetic Acid SCHEMBL19857506 | 0.82 | EPHX2 (0.43) | ALDH1A1KDM4ELMNAEPHX2MAPT | |
| Trifluoroacetic Acid SCHEMBL6039573 | 0.80 | EPHX2 (0.41) | ALDH1A1KDM4ELMNAEPHX2HTT | |
| Trifluoroacetic Acid SCHEMBL295415 | 0.80 | TP53 (0.45) | ALDH1A1KDM4EEPHX2HTTMAPT | |
| Trifluoroacetic Acid SCHEMBL2680032 | 0.76 | DPP4 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL29191931 | 0.76 | EPHX2 (0.40) | EPHX2 | |
| SCHEMBL13330357 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KDM4ELMNAHTTNPC1 | |
| SCHEMBL1564007 | 0.76 | NPC1 (0.45) | ALDH1A1KDM4ELMNAEPHX2HTT | |
| SCHEMBL695370 | 0.75 | KDM4E (0.44) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| SCHEMBL19673142 | 0.73 | ALDH1A1 (0.60) | ALDH1A1KDM4ELMNAHTTNPC1 |
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 |