Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | LCK | P06239 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | APAF1 | O14727 | 1/20 | 0.48 |
| ▸ | TDP2 | O95551 | 1/20 | 0.48 |
| ▸ | NSD2 | O96028 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.48 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL936440 | 0.87 | MAPT (0.57) | CYP1A2CYP2C19CYP3A4CYP2C9NPC1 | |
| SCHEMBL11008513 | 0.86 | LCK (0.64) | CYP1A2CYP2C19CYP3A4LCKFYN | |
| SCHEMBL7410864 | 0.83 | RAB9A (0.49) | CYP1A2CYP2C19CYP3A4CYP2C9NPC1 | |
| SCHEMBL12682417 | 0.83 | CYP1A2 (0.68) | CYP1A2CYP2C19CYP3A4CYP2C9LCK | |
| SCHEMBL31331522 | 0.81 | CYP1A2 (0.71) | CYP1A2CYP2C19CYP3A4CYP2C9NPC1 | |
| SCHEMBL1942303 | 0.81 | LMNA (0.58) | CYP3A4NPC1RAB9AALDH1A1CASP3 | |
| SCHEMBL16361704 | 0.81 | CYP3A4 (0.50) | CYP1A2CYP2C19CYP3A4CYP2C9NPC1 | |
| SCHEMBL27785704 | 0.80 | LCK (0.74) | CYP1A2CYP2C19CYP3A4CYP2C9LCK | |
| SCHEMBL935674 | 0.78 | NPC1 (0.47) | CYP1A2CYP2C19CYP3A4CYP2C9NPC1 | |
| SCHEMBL1307291 | 0.77 | TUBB4A (0.59) | CYP1A2CYP2C19CYP3A4CYP2C9NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118027120-A | Glycosylated and modified diphenyl ketone compound and application thereof | 山西医科大学 | 2024-05-14 | — | — | CN | disclosed |