Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | GABRP | O00591 | 1/20 | 0.46 |
| ▸ | GABRD | O14764 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.46 |
| ▸ | GABRE | P78334 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.46 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.46 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.46 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.46 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.45 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14206645 | 1.00 | TSHR (0.46) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL7618597 | 0.91 | GABRA5 (0.54) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL27736210 | 0.83 | SLC6A1 (0.61) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3628732 | 0.79 | — | — | |
| SCHEMBL14905737 | 0.79 | — | — | |
| SCHEMBL27793461 | 0.78 | — | — | |
| SCHEMBL3709913 | 0.78 | TSHR (0.54) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL336086 | 0.77 | CES2 (0.52) | TSHREPHX1 | |
| SCHEMBL12862907 | 0.76 | TSHR (0.52) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL13406399 | 0.76 | TSHR (0.81) | TSHRGABRPGABRDGABRA1GABRB1 |
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-112920120-B | Method for preparing N-methyl azepin-4-one hydrochloride | 江苏凌云药业股份有限公司 | 2022-03-15 | — | — | CN | claimed |
| CN-112920120-A | Method for preparing N-methyl azepin-4-one hydrochloride | 江苏凌云药业股份有限公司 | 2021-06-08 | — | — | CN | claimed |
| CN-114957120-A | Alkenyl homopiperidine compound and preparation method thereof | 苏州大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-112920120-B | Method for preparing N-methyl azepin-4-one hydrochloride | 江苏凌云药业股份有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-112920120-B | Method for preparing N-methyl azepin-4-one hydrochloride | 江苏凌云药业股份有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-112920120-A | Method for preparing N-methyl azepin-4-one hydrochloride | 江苏凌云药业股份有限公司 | 2021-06-08 | — | — | CN | disclosed |
| CN-112920120-A | Method for preparing N-methyl azepin-4-one hydrochloride | 江苏凌云药业股份有限公司 | 2021-06-08 | — | — | CN | disclosed |
| CN-106068264-B | Pyrimidine pyrazolyl derivatives and their use as IRAK inhibitors | 默克专利有限公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-106068264-A | PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS | 默克专利有限公司 | 2016-11-02 | — | — | CN | disclosed |