Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 8/20 | 0.76 |
| ▸ | PEPD | P12955 | 1/20 | 0.52 |
| ▸ | RXRA | P19793 | 1/20 | 0.52 |
| ▸ | RXRB | P28702 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5428805 | 0.86 | KIF11 (1.00) | KIF11PEPDALDH1A1NPC1HTT | |
| SCHEMBL13680497 | 0.84 | KIF11 (0.69) | KIF11PEPDNPC1KMT2AGAA | |
| SCHEMBL11175103 | 0.82 | KIF11 (0.66) | KIF11PEPDALDH1A1NPC1HTT | |
| SCHEMBL81433 | 0.80 | KIF11 (0.88) | KIF11PEPDALDH1A1NPC1MEN1 | |
| SCHEMBL5523767 | 0.80 | CYP1A2 (0.58) | KIF11PEPDALDH1A1NPC1HTT | |
| SCHEMBL27478177 | 0.78 | KIF11 (0.84) | KIF11PEPDALDH1A1NPC1MEN1 | |
| Hydrochloric Acid SCHEMBL27918047 | 0.78 | KIF11 (0.84) | KIF11PEPDALDH1A1NPC1MEN1 | |
| SCHEMBL27549109 | 0.77 | SLC1A3 (0.48) | KIF11RXRARXRBALDH1A1NPC1 | |
| SCHEMBL5062623 | 0.77 | PEPD (0.80) | KIF11PEPDALDH1A1NPC1MEN1 | |
| SCHEMBL4281427 | 0.76 | MAPT (0.70) | KIF11PEPDALDH1A1NPC1HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-1289467-C | Dibenzylamine compound and pharmaceutical use thereof | JAPAN TOBACCO INC (JP) | 2006-12-13 | — | — | CN | disclosed |
| CN-1617850-A | Dibenzylamine compound and medicinal use thereof | JAPAN TOBACCO INC (JP) | 2005-05-18 | — | — | CN | disclosed |