Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | LOX | P28300 | 1/20 | 0.31 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24529153 | 0.71 | TSHR (0.37) | TSHRSLC1A2LOXLOXL3LOXL2 | |
| SCHEMBL24529151 | 0.71 | TSHR (0.37) | TSHRSLC1A2LOXLOXL3LOXL2 | |
| SCHEMBL27969711 | 0.66 | TSHR (0.46) | TSHRSLC1A2LOXLOXL3LOXL2 | |
| SCHEMBL3700426 | 0.66 | LOX (0.50) | TSHRLOXLOXL3LOXL2ALDH1A1 | |
| SCHEMBL6608456 | 0.66 | TSHR (0.46) | TSHRSLC1A2LOXLOXL3LOXL2 | |
| SCHEMBL3674628 | 0.66 | ALDH1A1 (0.44) | TSHRLOXLOXL3LOXL2ALDH1A1 | |
| SCHEMBL31441387 | 0.64 | TSHR (0.35) | TSHR | |
| SCHEMBL19715266 | 0.64 | TSHR (0.43) | TSHRLOXLOXL3LOXL2ALDH1A1 | |
| SCHEMBL14738196 | 0.62 | — | — | |
| SCHEMBL10904067 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080194857-A1 | Selective Manufacture of N,N'-BIS(Cyanoethyl)-1,2-Ethylenediamine and N, N'-BIS(3-aminopropyl)-1,2-Ethylenediamine | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2008-08-14 | — | — | US | disclosed |