Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | VEGFA | P15692 | 1/20 | 0.36 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL9550142 | 0.81 | TSHR (0.45) | ALDH1A1CYP3A4ALOX15TDP1MAPT | |
| SCHEMBL5195327 | 0.80 | TSHR (0.47) | ALDH1A1ALOX15MAPTLMNAHTT | |
| SCHEMBL18306112 | 0.80 | ALDH1A1 (0.42) | ALDH1A1CYP3A4ALOX15TDP1MAPT | |
| SCHEMBL4960492 | 0.80 | ALDH1A1 (0.42) | ALDH1A1CYP3A4ALOX15TDP1MAPT | |
| SCHEMBL4849341 | 0.78 | DTYMK (0.47) | ALDH1A1CYP3A4ALOX15TDP1MAPT | |
| SCHEMBL1458482 | 0.77 | KDM4E (0.43) | ALDH1A1KDM4EGRIK1HPGDHSD17B10 | |
| SCHEMBL25294147 | 0.77 | ALDH1A1 (0.40) | ALDH1A1CYP3A4ALOX15TDP1MAPT | |
| SCHEMBL4962136 | 0.77 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15TDP1MAPT | |
| SCHEMBL17688824 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP3A4ALOX15TDP1MAPT | |
| SCHEMBL3342909 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP3A4ALOX15TDP1MAPT |
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-109467509-B | Preparation method of substituted nitrobenzene compounds | 联化科技股份有限公司 | 2021-09-24 | — | — | CN | disclosed |