Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18106785 | 0.88 | TDP1 (0.53) | TDP1TSHRSMN1; SMN2MCHR1ALDH1A1 | |
| SCHEMBL1340159 | 0.87 | ALDH1A1 (0.53) | TDP1SMN1; SMN2MCHR1ALDH1A1L3MBTL1 | |
| SCHEMBL30072983 | 0.82 | TDP1 (0.60) | TDP1TSHRSMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL10976558 | 0.78 | L3MBTL1 (0.53) | TDP1TSHRSMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL12475795 | 0.77 | TDP1 (0.58) | TDP1TSHRSMN1; SMN2ALDH1A1L3MBTL1 | |
| Propionamide SCHEMBL27631505 | 0.76 | TSHR (0.42) | TDP1TSHRSMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL7692800 | 0.76 | HPGD (0.54) | TDP1SMN1; SMN2ALDH1A1L3MBTL1RECQL | |
| SCHEMBL7692797 | 0.76 | HPGD (0.54) | TDP1SMN1; SMN2ALDH1A1L3MBTL1RECQL | |
| SCHEMBL27625442 | 0.76 | L3MBTL1 (0.51) | TDP1TSHRSMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL26132980 | 0.76 | RAB9A (0.57) | TDP1TSHRSMN1; SMN2ALDH1A1L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111333514-A | Preparation method of 1- (2-pentyloxy) -2-methyl-3-nitrobenzene | 沈阳中化农药化工研发有限公司 | 2020-06-26 | — | — | CN | claimed |
| CN-111333514-A | Preparation method of 1- (2-pentyloxy) -2-methyl-3-nitrobenzene | 沈阳中化农药化工研发有限公司 | 2020-06-26 | — | — | CN | disclosed |
| CN-111333514-A | Preparation method of 1- (2-pentyloxy) -2-methyl-3-nitrobenzene | 沈阳中化农药化工研发有限公司 | 2020-06-26 | — | — | CN | disclosed |
| CN-111333514-A | Preparation method of 1- (2-pentyloxy) -2-methyl-3-nitrobenzene | 沈阳中化农药化工研发有限公司 | 2020-06-26 | — | — | CN | disclosed |