Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.59 |
| ▸ | MGLL | Q99685 | 1/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 6/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.51 |
| ▸ | PRKCA | P17252 | 1/20 | 0.51 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.51 |
| ▸ | MMP12 | P39900 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30279458 | 1.00 | GRIK1 (0.59) | GRIK1MGLLRXFP1MEN1KMT2A | |
| SCHEMBL22524917 | 0.88 | PRKCA (0.55) | MGLLRXFP1KMT2AGAAPRKCA | |
| SCHEMBL22497537 | 0.86 | TRPV1 (0.58) | GRIK1MGLLMEN1KMT2AMMP1 | |
| SCHEMBL2233522 | 0.83 | NPC1 (0.69) | MGLLKMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL5242603 | 0.82 | NPC1 (0.56) | GRIK1MGLLMEN1KMT2ANPC1 | |
| SCHEMBL6431222 | 0.82 | RXFP1 (0.71) | GRIK1RXFP1MEN1KMT2AGAA | |
| SCHEMBL22497522 | 0.82 | NR4A2 (0.50) | MGLLNR4A2PRKCAPRKCDMMP1 | |
| SCHEMBL6430890 | 0.81 | CFD (0.69) | GRIK1RXFP1MEN1KMT2AGAA | |
| SCHEMBL27546747 | 0.81 | HCAR2 (0.60) | GRIK1RXFP1MEN1KMT2AGAA | |
| SCHEMBL6432395 | 0.80 | GRIK1 (0.62) | GRIK1RXFP1MEN1KMT2AGAA |
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-111763164-B | Preparation method and application of ortho-carbonyl amino substituted benzene derivatives | 中国医学科学院药物研究所 | 2023-03-10 | — | — | CN | disclosed |
| CN-111763164-A | Preparation method and application of ortho-carbonyl amino substituted benzene derivatives | 中国医学科学院药物研究所 | 2020-10-13 | — | — | CN | disclosed |
| WO-2020199945-A1 | ORTHO-CARBONYL AMINO-SUBSTITUTED BENZENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国医学科学院药物研究所 | 2020-10-08 | — | — | WO | disclosed |
| WO-2020199945-A1 | ORTHO-CARBONYL AMINO-SUBSTITUTED BENZENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国医学科学院药物研究所 | 2020-10-08 | — | — | WO | disclosed |