Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | TPMT | P51580 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL28426145 | 0.83 | TPMT (0.50) | ALDH1A1TSHRTPMTTDP1MEN1 | |
| P-Xylene SCHEMBL9456427 | 0.82 | LMNA (0.61) | ALDH1A1TSHRLMNATDP1HSD17B10 | |
| Acetic Acid Methyl Ester SCHEMBL28118872 | 0.82 | ALDH1A1 (0.59) | ALDH1A1TPMTLMNATDP1MEN1 | |
| Acetone SCHEMBL9722029 | 0.81 | TPMT (0.58) | ALDH1A1TSHRTPMTLMNATDP1 | |
| Acetic Acid SCHEMBL27834373 | 0.78 | TPMT (0.63) | ALDH1A1TSHRTPMTMEN1KMT2A | |
| SCHEMBL1331977 | 0.77 | — | — | |
| SCHEMBL9866292 | 0.77 | — | — | |
| SCHEMBL523 | 0.77 | — | — | |
| SCHEMBL1331774 | 0.77 | — | — | |
| SCHEMBL1330344 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111362803-A | Microchannel reaction process for continuously synthesizing 1-nitro mesitylene | 南京大学淮安高新技术研究院 | 2020-07-03 | — | — | CN | claimed |
| CN-111362803-A | Microchannel reaction process for continuously synthesizing 1-nitro mesitylene | 南京大学淮安高新技术研究院 | 2020-07-03 | — | — | CN | disclosed |