Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.65 |
| ▸ | HBB | P68871 | 1/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.61 |
| ▸ | GAA | P10253 | 4/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | GSTA1 | P08263 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL5809768 | 1.00 | KDM1A (0.74) | KDM1ACYP3A4SMN1; SMN2TP53CYP1A2 | |
| SCHEMBL23719206 | 0.89 | NPC1 (0.64) | KDM1ACYP3A4SMN1; SMN2KDM4EGAA | |
| SCHEMBL684658 | 0.88 | KDM1A (0.83) | KDM1ACYP3A4SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL19283326 | 0.85 | KDM1A (1.00) | KDM1ASMN1; SMN2KDM4EGAAMAPT | |
| SCHEMBL14712657 | 0.85 | KDM1A (1.00) | KDM1ASMN1; SMN2KDM4EGAAMAPT | |
| SCHEMBL23719208 | 0.85 | KDM1A (1.00) | KDM1ASMN1; SMN2KDM4EGAAMAPT | |
| SCHEMBL684476 | 0.84 | KDM1A (0.81) | KDM1ACYP3A4SMN1; SMN2KDM4EGAA | |
| SCHEMBL685157 | 0.84 | KDM1A (0.81) | KDM1ASMN1; SMN2CYP2C9KDM4EGAA | |
| SCHEMBL28012829 | 0.84 | KDM1A (0.81) | KDM1ASMN1; SMN2CYP2C9KDM4EGAA | |
| SCHEMBL5809221 | 0.84 | GAA (0.62) | KDM1ACYP3A4SMN1; SMN2TP53CYP1A2 |
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 |