Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 10/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11325531 | 1.00 | EPHX1 (0.43) | EPHX1SIGMAR1PDK1PDK2PDK3 | |
| SCHEMBL10873610 | 0.81 | SIGMAR1 (0.45) | EPHX1SIGMAR1PDK1PDK2PDK3 | |
| SCHEMBL10873615 | 0.81 | SIGMAR1 (0.45) | EPHX1SIGMAR1PDK1PDK2PDK3 | |
| Hydrochloric Acid SCHEMBL10781597 | 0.79 | SIGMAR1 (0.47) | EPHX1SIGMAR1PDK1PDK2PDK3 | |
| Hydrochloric Acid SCHEMBL10781593 | 0.79 | SIGMAR1 (0.47) | EPHX1SIGMAR1PDK1PDK2PDK3 | |
| SCHEMBL11316752 | 0.75 | ALDH1A1 (0.38) | SMN1; SMN2ALDH1A1CYP3A4MAPTMEN1 | |
| SCHEMBL11316747 | 0.75 | ALDH1A1 (0.38) | SMN1; SMN2ALDH1A1CYP3A4MAPTMEN1 | |
| SCHEMBL7722028 | 0.68 | HDAC8 (0.38) | EPHX1SIGMAR1PDK1PDK2PDK3 | |
| SCHEMBL19545205 | 0.66 | EPHX1 (0.50) | EPHX1SIGMAR1SMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL7722073 | 0.65 | MEN1 (0.36) | SMN1; SMN2ALDH1A1MEN1KMT2A |
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-4260713-A | AZOBIS/N,N*DIMETHYLENEISOBUTYLAMIDINE | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1981-04-07 | — | — | US | disclosed |