Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | OGG1 | O15527 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL29679606 | 0.76 | ALDH1A1 (0.61) | ALDH1A1KDM4ESMN1; SMN2GRM5LMNA | |
| SCHEMBL1505656 | 0.76 | ALDH1A1 (0.61) | ALDH1A1KDM4ESMN1; SMN2GRM5LMNA | |
| SCHEMBL10220980 | 0.71 | MAP3K5 (0.40) | ALDH1A1KDM4ESMN1; SMN2DHODH | |
| SCHEMBL25592912 | 0.71 | SMYD3 (0.56) | ALDH1A1KDM4ESMN1; SMN2SMYD3DHODH | |
| SCHEMBL231811 | 0.68 | ALDH1A1 (0.54) | ALDH1A1KDM4ESMN1; SMN2GRM5LMNA | |
| SCHEMBL13188319 | 0.67 | KDM4E (0.66) | ALDH1A1KDM4ESMN1; SMN2GRM5 | |
| SCHEMBL3503418 | 0.65 | KDM4E (0.53) | ALDH1A1KDM4ESMN1; SMN2GRM5 | |
| SCHEMBL14809955 | 0.65 | KDM4E (0.61) | ALDH1A1KDM4ESMN1; SMN2GRM5BRAF | |
| SCHEMBL15228259 | 0.64 | SMN1; SMN2 (0.56) | ALDH1A1KDM4ESMN1; SMN2GRM5POLB | |
| Hydrochloric Acid SCHEMBL10707947 | 0.64 | KDM4E (0.51) | ALDH1A1KDM4ESMN1; SMN2GRM5 |
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-2012003387-A1 | APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2012-01-05 | — | — | WO | disclosed |