Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.37 |
| ▸ | NPC1 | O15118 | 6/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MITF | O75030 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25435669 | 1.00 | IDO1 (0.41) | IDO1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL26252221 | 1.00 | IDO1 (0.41) | IDO1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL25433052 | 0.90 | USP8 (0.41) | IDO1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL26252229 | 0.90 | USP8 (0.41) | IDO1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL25433047 | 0.90 | USP8 (0.41) | IDO1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL26252236 | 0.86 | TUBB4A (0.44) | IDO1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL25433297 | 0.86 | TUBB4A (0.44) | IDO1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL25433292 | 0.86 | TUBB4A (0.44) | IDO1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL25398292 | 0.86 | IDO1 (0.41) | IDO1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL25398289 | 0.86 | IDO1 (0.41) | IDO1CYP1A2CYP3A4CYP2C19ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116768801-A | Condensed quinone oxime imidazoles and their onium derivatives, their preparation and use | 上海交通大学 | 2023-09-19 | — | — | CN | disclosed |
| WO-2023168908-A1 | FUSED QUINONE OXIME IMIDAZOLE, ONIUM DERIVATIVE THEREOF, PREPARATION THEREFOR AND USE THEREOF | 上海交通大学 | 2023-09-14 | — | — | WO | disclosed |