Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.70 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.70 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.70 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.70 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.56 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31124 | 0.89 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Methyl Alcohol SCHEMBL11268332 | 0.86 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Hydrogen Sulfide SCHEMBL27668457 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Hydrochloric Acid SCHEMBL27688178 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Ammonia Solution, Strong SCHEMBL28465317 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Benzene SCHEMBL28113439 | 0.86 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Hydrochloric Acid SCHEMBL8091091 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL30163538 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Pyridine SCHEMBL28601518 | 0.84 | CYP2E1 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL3604280 | 0.84 | CYP17A1 (0.68) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 |
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-118388471-A | Intermolecular controllable aggregation AIE photosensitizer and preparation method and application thereof | 东南大学 | 2024-07-26 | — | — | CN | disclosed |