Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL14795351 | 0.84 | ALDH1A1 (0.58) | ALDH1A1TDP1CYP2A13LMNASMN1; SMN2 | |
| Bromobenzene SCHEMBL5322862 | 0.84 | ALDH1A1 (0.58) | ALDH1A1TDP1HPGDTSHRGAA | |
| Benzene SCHEMBL11181513 | 0.84 | ALDH1A1 (0.42) | ALDH1A1TSHRKDM4E | |
| Toluene SCHEMBL14675705 | 0.83 | LMNA (0.42) | ALDH1A1CYP2A13HPGDTSHRLMNA | |
| Bromobenzene SCHEMBL129999 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TDP1CYP2A13LMNASMN1; SMN2 | |
| Bromobenzene SCHEMBL5103436 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TDP1HPGDTSHRGAA | |
| Anisole SCHEMBL2868566 | 0.80 | CA4 (0.50) | ALDH1A1TSHRLMNASMN1; SMN2GAA | |
| Trifluoromethylbenzene SCHEMBL28383246 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HPGDTSHRSMN1; SMN2GAA | |
| Tetrahydrofuran SCHEMBL3966212 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRLMNAGAA | |
| Tetrahydrofuran SCHEMBL139042 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRLMNAGAA |
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-109232199-B | Synthesis method of 1-chloro-2- (4-ethoxybenzyl) -4-iodobenzene | 南京红杉生物科技有限公司 | 2021-11-30 | — | — | CN | disclosed |