Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SORD | Q00796 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.36 |
| ▸ | BPTF | Q12830 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7811500 | 1.00 | — | — | |
| SCHEMBL27344928 | 0.91 | CYP1A2 (0.47) | CYP1A2HRH4MAPTHTTALDH1A1 | |
| SCHEMBL907776 | 0.86 | HTT (0.44) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL2439624 | 0.86 | BPTF (0.53) | CYP1A2HRH3HRH4BPTFHTT | |
| Water SCHEMBL27506673 | 0.84 | BPTF (0.51) | CYP1A2HRH3HRH4BPTFHTT | |
| SCHEMBL9862128 | 0.76 | SORD (0.46) | SORDCYP1A2HRH3HRH4BPTF | |
| SCHEMBL17104830 | 0.73 | — | — | |
| SCHEMBL580726 | 0.71 | — | — | |
| SCHEMBL27344929 | 0.70 | — | — | |
| SCHEMBL29057876 | 0.68 | SMPD3 (0.45) | MEN1MAPTKMT2AALDH1A1KDM4E |
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-5099017-A | N,N'-BIS-1,3,5-TRIAZIN-6-YLPIPERAZINES, AND PROCESSES FOR THEIR PREPARATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-03-24 | — | — | US | disclosed |
| EP-0413999-A2 | N,N-bis-1,3,5-triazine-6-yl-piperazines and processes for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-02-27 | — | — | EP | disclosed |