Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 6/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CCL2 | P13500 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30863700 | 0.80 | HTR2A (0.37) | HTR2AHTR6RET | |
| SCHEMBL5150447 | 0.78 | HTR2A (0.38) | HTR2AHTR6RETSIGMAR1KDM4E | |
| SCHEMBL1680359 | 0.78 | RET (0.38) | HTR2AHTR6RETSIGMAR1KDM4E | |
| SCHEMBL7197990 | 0.78 | HTR2A (0.38) | HTR2AHTR6RETSIGMAR1KDM4E | |
| SCHEMBL1680358 | 0.78 | HTR2A (0.38) | HTR2AHTR6RETSIGMAR1KDM4E | |
| SCHEMBL27994530 | 0.76 | HTR2A (0.34) | HTR2AHTR6CYP2D6 | |
| SCHEMBL27788839 | 0.76 | HTR2A (0.34) | HTR2AHTR6SIGMAR1 | |
| SCHEMBL29723819 | 0.75 | SLC6A2 (0.38) | HTR2AHTR6RETSIGMAR1SLC6A2 | |
| SCHEMBL27926152 | 0.75 | ALDH1A1 (0.38) | HTR2AHTR6RETKDM4ETP53 | |
| SCHEMBL6700611 | 0.74 | POLB (0.39) | HTR2AHTR6RETSIGMAR1KDM4E |
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-109665967-A | Indene compounds asymmetric epoxidation reaction ligand and the preparation method and application thereof | 暨明医药科技（苏州）有限公司 | 2019-04-23 | — | — | CN | disclosed |
| CN-109503564-A | The preparation method of diastereoisomer 4- substitution isoxazolines | 哈尔滨理工大学 | 2019-03-22 | — | — | CN | disclosed |