Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.44 |
| ▸ | TUBB | P07437 | 4/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.44 |
| ▸ | TUBB2A | Q13885 | 4/20 | 0.44 |
| ▸ | TUBB8 | Q3ZCM7 | 4/20 | 0.44 |
| ▸ | TUBA3E | Q6PEY2 | 4/20 | 0.44 |
| ▸ | TUBA1A | Q71U36 | 4/20 | 0.44 |
| ▸ | TUBA1C | Q9BQE3 | 4/20 | 0.44 |
| ▸ | TUBB6 | Q9BUF5 | 4/20 | 0.44 |
| ▸ | TUBB2B | Q9BVA1 | 4/20 | 0.44 |
| ▸ | TUBB1 | Q9H4B7 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9828544 | 0.81 | ACHE (0.54) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL683553 | 0.81 | ACHE (0.54) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL8115552 | 0.77 | MAPT (0.56) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL4304719 | 0.77 | ACHE (0.50) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL1134650 | 0.77 | ACHE (0.50) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL1706397 | 0.77 | ACHE (0.50) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL11951324 | 0.77 | ACHE (0.50) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL11951323 | 0.77 | ACHE (0.50) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL8751285 | 0.77 | ACHE (0.50) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL11124910 | 0.76 | MAPT (0.52) | ACHEMAPTCYP3A4CA9PTGS2 |
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-116444483-A | Preparation method of 1,3-dithiane substituted diene derivative | 兰州大学 | 2023-07-18 | — | — | CN | disclosed |