Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 8/20 | 0.62 |
| ▸ | CD274 | Q9NZQ7 | 8/20 | 0.62 |
| ▸ | TUBB1 | Q9H4B7 | 4/20 | 0.54 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.54 |
| ▸ | TUBB | P07437 | 2/20 | 0.54 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.54 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.54 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.54 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.54 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.54 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.54 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.54 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.54 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.54 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.54 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.54 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20693104 | 1.00 | PDCD1 (0.62) | PDCD1CD274TUBB1TUBB4ATUBB | |
| SCHEMBL9085864 | 0.89 | PDCD1 (0.72) | PDCD1CD274TUBB1TUBB4ATUBB | |
| SCHEMBL4411376 | 0.89 | PDCD1 (0.76) | PDCD1CD274TUBB1TUBB4ATUBB | |
| SCHEMBL9085876 | 0.89 | PDCD1 (0.72) | PDCD1CD274TUBB1TUBB4ATUBB | |
| SCHEMBL4411377 | 0.89 | PDCD1 (0.76) | PDCD1CD274TUBB1TUBB4ATUBB | |
| SCHEMBL13991619 | 0.86 | PDCD1 (0.68) | PDCD1CD274TUBB1TUBB4ATUBB | |
| SCHEMBL23671612 | 0.84 | PDCD1 (0.66) | PDCD1CD274TUBB1TUBB4ATUBB | |
| SCHEMBL23671611 | 0.84 | PDCD1 (0.66) | PDCD1CD274TUBB1TUBB4ATUBB | |
| SCHEMBL9587050 | 0.82 | CYP1A1 (0.65) | PDCD1CD274HDAC3HDAC4HDAC1 | |
| SCHEMBL9587052 | 0.82 | CYP1A1 (0.65) | PDCD1CD274HDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019020026-A1 | DIFLUOROMETHOXY SUBSTITUTED DIPHENYLETHANE AND TRANS-STILBENE DERIVATIVES, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海华理生物医药股份有限公司 | 2019-01-31 | — | — | WO | disclosed |