Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.78 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.70 |
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.53 |
| ▸ | CRHBP | P24387 | 2/20 | 0.53 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| 4-Nitrotoluene SCHEMBL11648100 | 0.98 | ACHE (0.82) | ACHEHSD17B10ALDH1A1LMNATSHR | |
| Nitrobenzene SCHEMBL4937722 | 0.96 | LMNA (0.76) | ACHEHSD17B10ALDH1A1LMNATSHR | |
| 4-Nitrotoluene SCHEMBL8492937 | 0.93 | ACHE (0.90) | ACHEHSD17B10ALDH1A1LMNATSHR | |
| 4-Nitrotoluene SCHEMBL73252 | 0.89 | ACHE (1.00) | ACHEHSD17B10ALDH1A1LMNATSHR | |
| 4-Nitrotoluene SCHEMBL2484690 | 0.89 | ACHE (1.00) | ACHEHSD17B10ALDH1A1LMNATSHR | |
| 4-Nitrotoluene SCHEMBL11183878 | 0.87 | HSD17B10 (0.78) | ACHEHSD17B10ALDH1A1LMNATSHR | |
| 4-Nitrotoluene SCHEMBL6751959 | 0.86 | ACHE (0.95) | ACHEHSD17B10ALDH1A1LMNATSHR | |
| 4-Nitrotoluene SCHEMBL9402408 | 0.86 | ACHE (0.95) | ACHEHSD17B10ALDH1A1LMNATSHR | |
| 4-Nitrotoluene SCHEMBL9734611 | 0.86 | ACHE (0.95) | ACHEHSD17B10ALDH1A1LMNATSHR | |
| 4-Nitrotoluene SCHEMBL28481150 | 0.86 | ACHE (0.95) | ACHEHSD17B10ALDH1A1LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3315486-A1 | METHOD FOR PRODUCING AROMATIC COMPOUND | Tosoh Corporation (JP) | 2018-05-02 | — | — | EP | disclosed |