Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | GAA | P10253 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19112477 | 0.98 | ALDH1A1 (0.44) | ALDH1A1GAALMNASMN1; SMN2MAPK1 | |
| SCHEMBL8423510 | 0.96 | ALDH1A1 (0.42) | ALDH1A1GAALMNASMN1; SMN2MAPK1 | |
| SCHEMBL13082552 | 0.87 | ALDH1A1 (0.43) | ALDH1A1GAALMNASMN1; SMN2MAPK1 | |
| SCHEMBL23222397 | 0.83 | ALDH1A1 (0.38) | ALDH1A1GAALMNASMN1; SMN2MAPK1 | |
| SCHEMBL13259108 | 0.81 | ALDH1A1 (0.37) | ALDH1A1GAALMNASMN1; SMN2MAPK1 | |
| SCHEMBL2455236 | 0.81 | ALDH1A1 (0.37) | ALDH1A1GAALMNASMN1; SMN2MAPK1 | |
| SCHEMBL8776159 | 0.74 | ALDH1A1 (0.41) | ALDH1A1GAALMNASMN1; SMN2MAPK1 | |
| SCHEMBL9356254 | 0.72 | ALDH1A1 (0.39) | ALDH1A1GAALMNASMN1; SMN2MAPK1 | |
| SCHEMBL5856784 | 0.71 | CYP2C9 (0.37) | ALDH1A1GAAMAPK1MAPTTSHR | |
| SCHEMBL6425505 | 0.69 | ALDH1A1 (0.33) | ALDH1A1GAALMNASMN1; SMN2MAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109369530-B | Preparation method of 2, 4-dioxo-3-aza-spiro [5,5] undecane-1, 5-dinitrile | 河北三川化工有限公司 | 2022-03-04 | — | — | CN | claimed |
| CN-116606216-A | Preparation method of gabapentin | 浙江手心制药有限公司 | 2023-08-18 | — | — | CN | disclosed |
| CN-109369530-B | Preparation method of 2, 4-dioxo-3-aza-spiro [5,5] undecane-1, 5-dinitrile | 河北三川化工有限公司 | 2022-03-04 | — | — | CN | disclosed |
| CN-109369530-B | Preparation method of 2, 4-dioxo-3-aza-spiro [5,5] undecane-1, 5-dinitrile | 河北三川化工有限公司 | 2022-03-04 | — | — | CN | disclosed |
| CN-105061239-A | Gabapentin synthesis method | TAICANG YUNTONG BIOCHEMICAL ENGINEERING CO LTD | 2015-11-18 | — | — | CN | disclosed |