Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 3/20 | 0.53 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.47 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.47 |
| ▸ | P4HB | P07237 | 8/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | UNG | P13051 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29463498 | 0.91 | FBP1 (0.56) | FBP1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL67236 | 0.91 | FBP1 (0.56) | FBP1GRIN2DGRIN3BGRIN1GRIN2A | |
| Cyclopropane SCHEMBL29130088 | 0.85 | FBP1 (0.51) | FBP1GRIN2DGRIN3BGRIN1GRIN2A | |
| Propionaldehyde SCHEMBL28092395 | 0.84 | PDCD1 (0.49) | FBP1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL18002842 | 0.84 | FBP1 (0.58) | FBP1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL27336648 | 0.81 | GRIN2D (0.50) | FBP1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8704159 | 0.81 | ALDH1A1 (0.69) | FBP1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL15821011 | 0.80 | TRIM24 (0.49) | FBP1MAOB | |
| SCHEMBL9190941 | 0.79 | FBP1 (0.57) | FBP1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL19715842 | 0.77 | PDCD1 (0.49) | FBP1GRIN2DGRIN3BGRIN1GRIN2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115073707-B | Benzenedimethylene diisocyanate composition and preparation method and application thereof | 万华化学集团股份有限公司 | 2023-09-26 | — | — | CN | disclosed |
| CN-115073707-A | Xylylene diisocyanate composition and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-09-20 | — | — | CN | disclosed |