Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 7/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | MTOR | P42345 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | GFER | P55789 | 3/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.56 |
| ▸ | HBB | P68871 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5809227 | 1.00 | GAA (0.62) | GAACYP3A4MTORMAPTKDM4E | |
| SCHEMBL15772499 | 0.86 | NPC1 (0.60) | GAACYP3A4MAPTKDM4EALDH1A1 | |
| SCHEMBL14712687 | 0.86 | NPC1 (0.60) | GAACYP3A4MAPTKDM4EALDH1A1 | |
| SCHEMBL19283299 | 0.85 | KDM1A (0.71) | GAACYP3A4MTORMAPTKDM4E | |
| SCHEMBL19283301 | 0.85 | KDM1A (0.71) | GAACYP3A4MTORMAPTKDM4E | |
| SCHEMBL5809768 | 0.84 | KDM1A (0.74) | GAACYP3A4MAPTKDM4EALDH1A1 | |
| SCHEMBL5809772 | 0.84 | KDM1A (0.74) | GAACYP3A4MAPTKDM4EALDH1A1 | |
| Isonicotinoylhydrazone Of Acetophenone SCHEMBL6637694 | 0.80 | GAA (0.76) | GAACYP3A4MTORMAPTKDM4E | |
| Isonicotinoylhydrazone Of Acetophenone SCHEMBL6637701 | 0.80 | GAA (0.76) | GAACYP3A4MTORMAPTKDM4E | |
| SCHEMBL23719206 | 0.78 | NPC1 (0.64) | GAACYP3A4MTORMAPTKDM4E |
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-2006136008-A1 | SALICYLIC ACID HYDRAZONES AS INHIBITORS OF THE ERK MAPKINASE PATHWAY AND FOR THE TREATMENT OF CANCER | UNIVERSITY HEALTH NETWORK (CA) | 2006-12-28 | — | — | WO | disclosed |