Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.58 |
| ▸ | MGLL | Q99685 | 1/20 | 0.57 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | PPARG | P37231 | 3/20 | 0.52 |
| ▸ | PPARA | Q07869 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.50 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ACLY | P53396 | 1/20 | 0.46 |
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 | 0.86 | GRIK1 (0.59) | MGLLNPC1RAB9AMEN1KMT2A | |
| SCHEMBL22497529 | 0.86 | GRIK1 (0.59) | MGLLNPC1RAB9AMEN1KMT2A | |
| SCHEMBL2233522 | 0.86 | NPC1 (0.69) | MGLLNPC1RAB9AKMT2APOLB | |
| SCHEMBL22497489 | 0.85 | KDM4E (0.61) | MGLLTRPA1NPC1RAB9AMEN1 | |
| SCHEMBL5055502 | 0.83 | NPC1 (0.58) | MGLLNPC1RAB9AALDH1A1 | |
| SCHEMBL5242603 | 0.83 | NPC1 (0.56) | TRPV1MGLLNPC1RAB9AMEN1 | |
| SCHEMBL6719611 | 0.80 | NPC1 (0.61) | MGLLNPC1RAB9AMEN1KMT2A | |
| SCHEMBL8058385 | 0.79 | HCAR2 (0.69) | CYP2C9POLB | |
| SCHEMBL5055467 | 0.79 | NPC1 (0.57) | NPC1RAB9APPARGMEN1CYP2C9 | |
| SCHEMBL22524897 | 0.79 | PPARG (0.63) | TRPV1MGLLTRPA1TRPM8NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |