Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29455856 | 0.70 | ATM (0.39) | — | |
| SCHEMBL23924924 | 0.70 | HSP90AB1 (0.34) | KCNH2 | |
| SCHEMBL22117597 | 0.70 | ATM (0.39) | — | |
| SCHEMBL11707748 | 0.68 | ACHE (0.47) | KCNH2ALDH1A1 | |
| SCHEMBL10153917 | 0.67 | ALDH1A1 (0.39) | KCNH2ALDH1A1 | |
| SCHEMBL25261171 | 0.67 | BRD4 (0.45) | ALDH1A1KDM1A | |
| SCHEMBL11097401 | 0.66 | LMNA (0.58) | ESR1ESR2ALDH1A1CASP1HTT | |
| SCHEMBL255117 | 0.65 | PRCP (0.41) | ALDH1A1KDM1A | |
| SCHEMBL19002566 | 0.64 | EPHX2 (0.42) | ESR2ALDH1A1HTT | |
| SCHEMBL11715268 | 0.64 | PRCP (0.45) | ALDH1A1KDM1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5864045-A | Heterocyclic substituted piperazinone derivatives | HOECHST MARION ROUSSEL, INC. (US) | 1999-01-26 | — | — | US | disclosed |
| US-5840726-A | Heterocyclic substituted piperazinone derivatives | HOECHST MARION ROUSSEL INC. (US) | 1998-11-24 | — | — | US | disclosed |