Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2843906 | 0.81 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CYP2C19TSHRLMNA | |
| SCHEMBL1706030 | 0.79 | ALDH1A1 (0.73) | ALDH1A1CYP3A4CYP2C19TSHRLMNA | |
| SCHEMBL627906 | 0.79 | ALDH1A1 (0.73) | ALDH1A1CYP3A4CYP2C19TSHRLMNA | |
| SCHEMBL29118247 | 0.78 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C19TSHRLMNA | |
| Hydrochloric Acid SCHEMBL15063255 | 0.78 | ALDH1A1 (0.77) | ALDH1A1CYP3A4CYP2C19TSHRLMNA | |
| SCHEMBL6598560 | 0.75 | ALDH1A1 (0.68) | ALDH1A1CYP3A4CYP2C19TSHRLMNA | |
| SCHEMBL18949027 | 0.75 | ALDH1A1 (0.68) | ALDH1A1CYP3A4CYP2C19TSHRLMNA | |
| SCHEMBL15711320 | 0.75 | ALDH1A1 (0.68) | ALDH1A1CYP3A4CYP2C19TSHRLMNA | |
| SCHEMBL8919299 | 0.75 | ALDH1A1 (0.68) | ALDH1A1CYP3A4CYP2C19TSHRLMNA | |
| SCHEMBL6790327 | 0.75 | ALDH1A1 (0.68) | ALDH1A1CYP3A4CYP2C19TSHRLMNA |
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-114907288-B | Application of nitrobenzene compounds in preparation of pseudomonas aeruginosa quorum sensing inhibitor | 中国医学科学院医药生物技术研究所 | 2023-12-08 | — | — | CN | disclosed |
| CN-114907288-A | Application of nitrobenzene compounds in preparation of pseudomonas aeruginosa quorum sensing inhibitor | 中国医学科学院医药生物技术研究所 | 2022-08-16 | — | — | CN | disclosed |