Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2890927 | 0.78 | CA12 (0.55) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL29088214 | 0.76 | CA12 (0.53) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL2888771 | 0.71 | CA12 (0.46) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL8077700 | 0.69 | CA12 (0.64) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL29187695 | 0.69 | CA12 (0.44) | CA12CA1CA2CA9 | |
| SCHEMBL30838856 | 0.68 | CA12 (0.46) | CA12CA1CA2CA9 | |
| SCHEMBL326687 | 0.68 | RAB9A (0.47) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL28372254 | 0.67 | RECQL (0.39) | MEN1KMT2AALDH1A1LMNAMAPT | |
| SCHEMBL2882932 | 0.66 | — | — | |
| SCHEMBL1177955 | 0.66 | — | — |
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-110972535-B | 7,7 '-bis (trifurazan [3, 4-b: 3, 4' -d: 3 '', 4 '' -f ] azepane) compounds | 西安近代化学研究所 | 2017-08-15 | — | — | CN | disclosed |