Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31556280 | 0.85 | — | — | |
| SCHEMBL91997 | 0.85 | — | — | |
| Formaldehyde SCHEMBL28827398 | 0.83 | CYP3A4 (0.52) | CYP3A4TSHRHTR2AHTR2CHTR2B | |
| SCHEMBL29212124 | 0.77 | CYP3A4 (0.52) | CYP3A4TSHRHTR2AHTR2CHTR2B | |
| SCHEMBL874097 | 0.76 | ALDH1A1 (0.47) | CYP3A4TSHRPOLBRAB9AGAA | |
| SCHEMBL4574528 | 0.76 | FLT1 (0.51) | TSHRHTR2AHTR2CHTR2BRAB9A | |
| SCHEMBL30628195 | 0.76 | FLT1 (0.51) | TSHRHTR2AHTR2CHTR2BRAB9A | |
| SCHEMBL107882 | 0.76 | FLT1 (0.51) | TSHRHTR2AHTR2CHTR2BPOLB | |
| SCHEMBL3922668 | 0.76 | ALDH1A1 (0.47) | CYP3A4TSHRPOLBRAB9AGAA | |
| SCHEMBL27564863 | 0.74 | TP53 (0.67) | CYP3A4TSHRPOLBMEN1MAPT |
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-109369378-A | The synthetic method of insecticide spiral shell worm ethyl ester intermediate 2,5- dimethyl benzene chloroacetic chloride | 山东省农药科学研究院 | 2019-02-22 | — | — | CN | claimed |
| CN-109369378-A | The synthetic method of insecticide spiral shell worm ethyl ester intermediate 2,5- dimethyl benzene chloroacetic chloride | 山东省农药科学研究院 | 2019-02-22 | — | — | CN | disclosed |
| CN-109369378-A | The synthetic method of insecticide spiral shell worm ethyl ester intermediate 2,5- dimethyl benzene chloroacetic chloride | 山东省农药科学研究院 | 2019-02-22 | — | — | CN | disclosed |
| CN-103402979-B | Chemical compound | 先正达参股股份有限公司 | 2016-08-24 | — | — | CN | disclosed |