Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | FAAH | O00519 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | HTR2B | P41595 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.54 |
| ▸ | CASP4 | P49662 | 1/20 | 0.54 |
| ▸ | CASP5 | P51878 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30774908 | 0.87 | SIGMAR1 (0.79) | SIGMAR1ALDH1A1KDM4EALOX15TSHR | |
| SCHEMBL3162705 | 0.84 | SIGMAR1 (0.79) | SIGMAR1ALDH1A1KDM4EALOX15TSHR | |
| SCHEMBL20804357 | 0.84 | SIGMAR1 (0.90) | SIGMAR1ALDH1A1KDM4ETSHRGAA | |
| SCHEMBL28186295 | 0.84 | SIGMAR1 (0.90) | SIGMAR1ALDH1A1KDM4ETSHRGAA | |
| SCHEMBL7424630 | 0.83 | SIGMAR1 (0.65) | SIGMAR1LMNAHRH3 | |
| SCHEMBL29447356 | 0.83 | SIGMAR1 (0.77) | SIGMAR1ALDH1A1KDM4ETSHRGAA | |
| SCHEMBL1883482 | 0.83 | SIGMAR1 (0.77) | SIGMAR1ALDH1A1KDM4ETSHRGAA | |
| SCHEMBL18889411 | 0.83 | SIGMAR1 (0.78) | SIGMAR1HTR1AHTR2BHRH3 | |
| Hydrochloric Acid SCHEMBL16825187 | 0.82 | SIGMAR1 (0.74) | SIGMAR1ALDH1A1KDM4ETSHRGAA | |
| SCHEMBL7425120 | 0.80 | SIGMAR1 (0.64) | SIGMAR1ALDH1A1LMNA |
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-1997044334-A2 | NOVEL PIPERAZINE OR HOMOPIPERAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THEIR PREPARATION | EGIS Gyógyszergyár Rt. (HU) | 1997-11-27 | — | — | WO | disclosed |