Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | S100B | P04271 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGAV | P06756 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL93182 | 1.00 | CYP3A4 (0.54) | CYP3A4S100BITGB3ITGAVTDP1 | |
| Ammonia Solution, Strong SCHEMBL28180433 | 0.98 | CYP3A4 (0.52) | CYP3A4S100BITGB3ITGAVTDP1 | |
| SCHEMBL7529492 | 0.94 | CYP3A4 (0.48) | CYP3A4S100BITGB3ITGAVTDP1 | |
| SCHEMBL11554107 | 0.92 | CYP3A4 (0.52) | CYP3A4S100BITGB3ITGAVTDP1 | |
| SCHEMBL58545 | 0.89 | CYP3A4 (0.60) | CYP3A4S100BITGB3ITGAVTDP1 | |
| Toluene SCHEMBL28174798 | 0.88 | CYP3A4 (0.52) | CYP3A4S100BITGB3ITGAVTDP1 | |
| SCHEMBL8943163 | 0.88 | TDP1 (0.44) | CYP3A4S100BITGB3ITGAVTDP1 | |
| SCHEMBL8417246 | 0.82 | S100B (0.46) | CYP3A4S100BITGB3ITGAVGALR3 | |
| SCHEMBL29537333 | 0.82 | CYP3A4 (0.52) | CYP3A4TDP1GABRA1GABRB2MAPK1 | |
| SCHEMBL93270 | 0.82 | CYP3A4 (0.52) | CYP3A4TDP1GABRA1GABRB2MAPK1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111471171-B | Arylsulfonic acid intermediate, preparation method thereof and application of aryl sulfonic acid intermediate in synthesizing low-temperature-sensitivity additive for concrete | 江苏苏博特新材料股份有限公司 | 2023-07-18 | — | — | CN | claimed |
| CN-113646049-B | Pyrimidinone derivatives as SHP2 antagonists | 默克专利有限公司 | 2024-08-13 | — | — | CN | disclosed |
| CN-116239551-B | Furanylurea compound with molluscicidal activity and preparation and application thereof | 湖北大学 | 2024-07-26 | — | — | CN | disclosed |
| CN-115960109-B | Preparation and application of condensed ring SHP2 phosphatase inhibitor | 药雅科技(上海)有限公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-113262218-B | Use of isothiocyanate compounds | 无锡杰西医药股份有限公司 | 2024-06-18 | — | — | CN | disclosed |
| CN-111471171-B | Arylsulfonic acid intermediate, preparation method thereof and application of aryl sulfonic acid intermediate in synthesizing low-temperature-sensitivity additive for concrete | 江苏苏博特新材料股份有限公司 | 2023-07-18 | — | — | CN | disclosed |
| CN-116239551-A | Furanylurea compound with molluscicidal activity and preparation and application thereof | 湖北大学 | 2023-06-09 | — | — | CN | disclosed |
| CN-115960109-A | Preparation and application of fused-ring SHP2 phosphatase inhibitor | 药雅科技(上海)有限公司 | 2023-04-14 | — | — | CN | disclosed |
| CN-112851635-B | Cyclic sulfones compound and preparation method, application and pharmaceutical composition thereof | 中国医学科学院药物研究所 | 2022-09-16 | — | — | CN | disclosed |