Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.80 |
| ▸ | LMNA | P02545 | 2/20 | 0.80 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.58 |
| ▸ | ACHE | P22303 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | CRHBP | P24387 | 2/20 | 0.54 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | 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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL1684039 | 0.91 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10ACHETSHR | |
| Nitrobenzene SCHEMBL27684754 | 0.90 | ALDH1A1 (0.89) | ALDH1A1LMNAHSD17B10ACHETSHR | |
| Nitrobenzene SCHEMBL1330825 | 0.89 | — | — | |
| Nitrobenzene SCHEMBL15525745 | 0.89 | ALDH1A1 (1.00) | ALDH1A1LMNAHSD17B10ACHETSHR | |
| Nitrobenzene SCHEMBL2255264 | 0.89 | ALDH1A1 (1.00) | ALDH1A1LMNAHSD17B10ACHETSHR | |
| Nitrobenzene SCHEMBL1330714 | 0.89 | — | — | |
| Nitrobenzene SCHEMBL9669095 | 0.89 | — | — | |
| Nitrobenzene SCHEMBL20411 | 0.89 | — | — | |
| Nitrobenzene SCHEMBL2358164 | 0.89 | ALDH1A1 (1.00) | ALDH1A1LMNAHSD17B10ACHETSHR | |
| Nitrobenzene SCHEMBL8098284 | 0.88 | ALDH1A1 (0.76) | ALDH1A1LMNAHSD17B10ACHETSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104945370-A | Xanthate compound containing halothiophene and nitrobenzene hexamethylbenzene structure, preparation method and application | FOSHAN SAIWEISI MEDICINE SCIENCE & TECHNOLOGY CO LTD | 2015-09-30 | — | — | CN | disclosed |
| CN-104945370-A | Xanthate compound containing halothiophene and nitrobenzene hexamethylbenzene structure, preparation method and application | FOSHAN SAIWEISI MEDICINE SCIENCE & TECHNOLOGY CO LTD | 2015-09-30 | — | — | CN | disclosed |
| CN-104945370-A | Xanthate compound containing halothiophene and nitrobenzene hexamethylbenzene structure, preparation method and application | FOSHAN SAIWEISI MEDICINE SCIENCE & TECHNOLOGY CO LTD | 2015-09-30 | — | — | CN | disclosed |