Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.65 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.62 |
| ▸ | TUBB | P07437 | 1/20 | 0.62 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.62 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.62 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.62 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.62 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.62 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.62 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.62 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.62 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.62 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.62 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.62 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.62 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.62 |
| ▸ | S100B | P04271 | 1/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8319299 | 0.86 | PTGS2 (0.69) | PTGS2S100BPTGS1CA12CA2 | |
| SCHEMBL8319294 | 0.86 | PTGS2 (0.69) | PTGS2S100BPTGS1CA12CA2 | |
| SCHEMBL10733277 | 0.84 | S100B (0.82) | PTGS2S100BPTGS1CA12CA2 | |
| SCHEMBL12416630 | 0.84 | S100B (0.82) | PTGS2S100BPTGS1CA12CA2 | |
| SCHEMBL2010515 | 0.84 | S100B (0.82) | PTGS2S100BPTGS1CA12CA2 | |
| SCHEMBL10733285 | 0.84 | S100B (0.82) | PTGS2S100BPTGS1CA12CA2 | |
| SCHEMBL10412841 | 0.84 | S100B (0.82) | PTGS2S100BPTGS1CA12CA2 | |
| SCHEMBL9188784 | 0.83 | PTGS2 (0.65) | PTGS2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL9188791 | 0.83 | PTGS2 (0.65) | PTGS2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL8325328 | 0.83 | S100B (0.66) | PTGS2S100BPTGS1CA12CA2 |
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-110483308-B | Method for preparing secondary amine compound by imine hydrogenation reduction | 大连理工大学 | 2021-08-20 | — | — | CN | disclosed |