Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.58 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7418676 | 0.95 | SIGMAR1 (0.67) | SIGMAR1ALDH1A1KDM4EPLA2G1BRAB9A | |
| SCHEMBL23851311 | 0.87 | SIGMAR1 (0.72) | SIGMAR1ALDH1A1KDM4EPLA2G1BRAB9A | |
| SCHEMBL29087431 | 0.84 | KDM4E (0.64) | SIGMAR1ALDH1A1KDM4EPLA2G1BRAB9A | |
| SCHEMBL9417737 | 0.83 | SIGMAR1 (0.72) | SIGMAR1ALDH1A1KDM4EPLA2G1BRAB9A | |
| SCHEMBL11360607 | 0.83 | SIGMAR1 (0.85) | SIGMAR1ALDH1A1KDM4EPLA2G1BRAB9A | |
| SCHEMBL5738303 | 0.81 | ALDH1A1 (0.73) | SIGMAR1ALDH1A1KDM4EPLA2G1BRAB9A | |
| SCHEMBL3210628 | 0.81 | ALDH1A1 (0.73) | SIGMAR1ALDH1A1KDM4EPLA2G1BRAB9A | |
| Hydrochloric Acid SCHEMBL11467058 | 0.81 | SIGMAR1 (0.70) | SIGMAR1ALDH1A1KDM4EPLA2G1BRAB9A | |
| SCHEMBL7424299 | 0.81 | ALDH1A1 (0.68) | ALDH1A1KDM4EHTTCYP2A13POLB | |
| SCHEMBL7425120 | 0.80 | SIGMAR1 (0.64) | SIGMAR1ALDH1A1POLBLMNA |
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 |