Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | LPL | P06858 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| Ethylbenzene SCHEMBL27405402 | 0.79 | TP53 (0.93) | TP53CYP2A6ALDH1A1CYP1A2RAB9A | |
| Benzene SCHEMBL27406821 | 0.79 | TP53 (0.80) | TP53CYP2A6ALDH1A1CYP1A2RAB9A | |
| SCHEMBL26417080 | 0.79 | BBOX1 (0.39) | ALDH1A1SMN1; SMN2LMNAMAPT | |
| SCHEMBL24133345 | 0.79 | HSD11B1 (0.49) | TP53ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL27845795 | 0.76 | TSHR (0.59) | KIF11PPARGPPARA | |
| Ethylbenzene SCHEMBL1331299 | 0.76 | — | — | |
| Ethylbenzene SCHEMBL7458207 | 0.76 | TP53 (1.00) | TP53CYP2A6ALDH1A1CYP1A2RAB9A | |
| Ethylbenzene SCHEMBL3987542 | 0.76 | TP53 (1.00) | TP53CYP2A6ALDH1A1CYP1A2RAB9A | |
| Ethylbenzene SCHEMBL1330604 | 0.76 | — | — | |
| Ethylbenzene SCHEMBL11223212 | 0.76 | TP53 (1.00) | TP53CYP2A6ALDH1A1CYP1A2RAB9A |
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-7378448-B2 | Diphenylether amide derivatives as opioid receptor antagonists | ELI LILLY AND COMPANY (US) | 2008-05-27 | — | — | US | disclosed |