Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GCGR | P47871 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | USP5 | P45974 | 1/20 | 0.36 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6784267 | 0.87 | NQO2 (0.49) | ESR1ESR2NQO2RAB9AMEN1 | |
| SCHEMBL6784264 | 0.87 | NQO2 (0.49) | ESR1ESR2NQO2RAB9AMEN1 | |
| SCHEMBL28744054 | 0.84 | FLT1 (0.36) | RXRARXRBRAB9AMEN1KMT2A | |
| SCHEMBL27762421 | 0.83 | NPC1 (0.50) | ESR1ESR2NQO2RAB9AMEN1 | |
| SCHEMBL27833892 | 0.83 | NPC1 (0.50) | ESR1ESR2NQO2RAB9AMEN1 | |
| SCHEMBL28264296 | 0.80 | ABAT (0.52) | NQO2MEN1KMT2ALMNACYP3A4 | |
| SCHEMBL28263236 | 0.80 | LMNA (0.45) | ESR1ESR2NQO2RAB9AMEN1 | |
| SCHEMBL27565138 | 0.80 | FNTA (0.42) | ESR1ESR2NQO2RAB9AMEN1 | |
| SCHEMBL28263238 | 0.79 | MAPT (0.49) | ESR2NQO2RAB9AMEN1KMT2A | |
| SCHEMBL11870822 | 0.76 | SRD5A2 (0.40) | NQO2RAB9AMEN1KMT2ASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109251186-A | A kind of chalcones derivative, preparation method and application containing benzothiazole | 贵州大学 | 2019-01-22 | — | — | CN | disclosed |