Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.69 |
| ▸ | BCHE | P06276 | 1/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.69 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.69 |
| ▸ | RELA | Q04206 | 1/20 | 0.69 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.64 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.64 |
| ▸ | MAOB | P27338 | 1/20 | 0.64 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.64 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.64 |
| ▸ | SNCA | P37840 | 2/20 | 0.63 |
| ▸ | CES2 | O00748 | 1/20 | 0.62 |
| ▸ | CES1 | P23141 | 1/20 | 0.62 |
| ▸ | F3 | P13726 | 2/20 | 0.60 |
| ▸ | THRB | P10828 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL9580489 | 1.00 | CYP3A4 (0.69) | CYP3A4BCHENFKB1NFKB2RELA | |
| SCHEMBL25954596 | 0.93 | F3 (0.68) | CYP3A4RELATRPA1MAPTMEN1 | |
| SCHEMBL50261 | 0.89 | CES2 (0.77) | MAPTMEN1KMT2AALDH1A1CES2 | |
| SCHEMBL6618691 | 0.89 | CES2 (0.77) | MAPTMEN1KMT2AALDH1A1CES2 | |
| Benzophenone SCHEMBL27935236 | 0.89 | CES2 (0.77) | MAPTMEN1KMT2AALDH1A1CES2 | |
| Benzophenone SCHEMBL28282178 | 0.89 | THRB (0.78) | CYP3A4BCHENFKB1NFKB2RELA | |
| SCHEMBL28888786 | 0.87 | CES2 (0.74) | MAPTMEN1KMT2AALDH1A1CES2 | |
| Hydrochloric Acid SCHEMBL4595093 | 0.87 | CES2 (0.74) | MAPTMEN1KMT2AALDH1A1CES2 | |
| SCHEMBL28393149 | 0.87 | CES2 (0.74) | MAPTMEN1KMT2AALDH1A1CES2 | |
| Hydrochloric Acid SCHEMBL4595086 | 0.87 | CES2 (0.74) | MAPTMEN1KMT2AALDH1A1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993001173-A1 | PRODUCTION OF AROMATIC OLEFINS | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 1993-01-21 | — | — | WO | disclosed |