Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | Q9HBH1 | 2/20 | 0.33 | |
| ▸ | ABCB1 | P08183 | 2/20 | 0.33 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6857897 | 0.79 | CHRNA4 (0.50) | CHRNA4SMN1; SMN2LMNAMAPTGAA | |
| SCHEMBL5156582 | 0.79 | CHRNA4 (0.50) | CHRNA4SMN1; SMN2HPGDLMNAMAPT | |
| SCHEMBL3060766 | 0.78 | CHRNA4 (0.49) | CHRNA4SMN1; SMN2HPGDLMNAMAPT | |
| SCHEMBL28281125 | 0.77 | KDM4E (0.40) | HPGDLMNAMAPTNPSR1ABCG2 | |
| SCHEMBL6856079 | 0.75 | CHRNA4 (0.47) | CHRNA4SMN1; SMN2HPGDLMNAMAPT | |
| SCHEMBL27961915 | 0.73 | SMN1; SMN2 (0.33) | SMN1; SMN2HPGDLMNAMAPTPKM | |
| SCHEMBL374153 | 0.68 | ABCG2 (0.62) | ABCG2GAAABCB1TNFRSF1ATUBB1 | |
| Water SCHEMBL15135999 | 0.67 | ABCG2 (0.60) | ABCG2GAAABCB1TNFRSF1ATUBB1 | |
| SCHEMBL27771525 | 0.66 | NQO1 (0.32) | ALDH1A1 | |
| SCHEMBL18663735 | 0.66 | TUBB1 (0.56) | MAPTABCG2ALDH1A1TNFRSF1ATUBB1 |
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-105451558-B | Pyrazolyl pyrrolinone and its purposes as herbicide | 先正达参股股份有限公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-105451558-A | Pyrazolyl pyrrolinones and their use as herbicides | SYNGENTA PARTICIPATIONS AG | 2016-03-30 | — | — | CN | disclosed |