Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25027982 | 0.77 | CYP1A2 (0.36) | TYMSALDH1A1HSD17B10TSHRHPGD | |
| SCHEMBL4765902 | 0.74 | — | — | |
| SCHEMBL26037 | 0.70 | ALDH1A1 (0.53) | TYMSALDH1A1HSD17B10TSHRHPGD | |
| SCHEMBL29575794 | 0.70 | ALDH1A1 (0.53) | TYMSALDH1A1HSD17B10TSHRHPGD | |
| SCHEMBL8872842 | 0.70 | ALDH1A1 (0.53) | TYMSALDH1A1HSD17B10TSHRHPGD | |
| SCHEMBL9403255 | 0.68 | GPR84 (0.37) | ATM | |
| Bromide SCHEMBL8065175 | 0.68 | ALDH1A1 (0.50) | TYMSALDH1A1HSD17B10TSHRHPGD | |
| SCHEMBL11766347 | 0.68 | ALDH1A1 (0.50) | TYMSALDH1A1HSD17B10TSHRHPGD | |
| Bromide SCHEMBL8065180 | 0.68 | ALDH1A1 (0.50) | TYMSALDH1A1HSD17B10TSHRHPGD | |
| SCHEMBL23300518 | 0.68 | ALDH1A1 (0.50) | TYMSALDH1A1HSD17B10TSHRHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112778268-B | Preparation method of naphtho [1,8-bc ] thiopyran compound | 温州大学新材料与产业技术研究院 | 2022-09-20 | — | — | CN | claimed |
| CN-112778268-B | Preparation method of naphtho [1,8-bc ] thiopyran compound | 温州大学新材料与产业技术研究院 | 2022-09-20 | — | — | CN | disclosed |
| CN-112778268-B | Preparation method of naphtho [1,8-bc ] thiopyran compound | 温州大学新材料与产业技术研究院 | 2022-09-20 | — | — | CN | disclosed |
| CN-112778268-B | Preparation method of naphtho [1,8-bc ] thiopyran compound | 温州大学新材料与产业技术研究院 | 2022-09-20 | — | — | CN | disclosed |