Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.48 |
| ▸ | NSD2 | O96028 | 2/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.34 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.34 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.34 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.34 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.34 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.34 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6294367 | 0.76 | S100A4 (0.62) | S100A4NSD2TDP1MEN1NPC1 | |
| SCHEMBL21801779 | 0.72 | S100A4 (0.60) | S100A4NSD2TDP1MEN1NPC1 | |
| SCHEMBL21801765 | 0.70 | NSD2 (0.52) | NSD2PTGER4TRPV3ACACBSCN9A | |
| SCHEMBL5925147 | 0.70 | S100A4 (0.58) | S100A4NSD2TDP1TUBB4ATUBB | |
| SCHEMBL29952191 | 0.70 | S100A4 (0.58) | S100A4NSD2TDP1TUBB4ATUBB | |
| SCHEMBL21801718 | 0.68 | S100A4 (0.58) | S100A4TDP1TRPV3MEN1NPC1 | |
| SCHEMBL21801897 | 0.67 | S100A4 (0.56) | S100A4TDP1MEN1NPC1RAB9A | |
| SCHEMBL2599397 | 0.66 | S100A4 (1.00) | S100A4NSD2TDP1MEN1NPC1 | |
| SCHEMBL21801712 | 0.65 | S100A4 (0.57) | S100A4NSD2TDP1MEN1NPC1 | |
| SCHEMBL21801722 | 0.65 | ABL1 (0.51) | S100A4TDP1TRPV3RAB9A |
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-2020055192-A2 | PREPARATION METHOD FOR QUINOLINE-5, 8-DIONE DERIVATIVE WHICH IS TGASE 2 INHIBITOR | 재단법인 대구경북첨단의료산업진흥재단 | 2020-03-19 | — | — | WO | disclosed |