Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9326643 | 0.93 | ALDH1A1 (0.57) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL1160217 | 0.82 | ALDH1A1 (0.57) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL5606838 | 0.80 | TSHR (0.59) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL11499399 | 0.79 | ALDH1A1 (0.42) | ALDH1A1TP53TSHRTDP1GAA | |
| SCHEMBL3432029 | 0.77 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Allylbenzene SCHEMBL11652292 | 0.77 | MAOB (0.50) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Ethylene SCHEMBL8743643 | 0.77 | LTA4H (0.41) | ALDH1A1ALOX15TSHRLTA4HFFAR1 | |
| SCHEMBL132913 | 0.77 | LTA4H (0.45) | ALDH1A1ALOX15TSHRLTA4H | |
| SCHEMBL30883096 | 0.77 | LTA4H (0.45) | ALDH1A1ALOX15TSHRLTA4H | |
| SCHEMBL6271965 | 0.76 | SMN1; SMN2 (0.50) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 |
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-4202844-A | OXIDATION OF ORGANIC PHOSPHITES WITH NITROGEN DIOXIDE AS CATALYST | TENNECO CHEMICALS, INC. (US) | 1980-05-13 | — | — | US | disclosed |