Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 2/20 | 0.45 |
| ▸ | GABRD | O14764 | 2/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.45 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.45 |
| ▸ | GABRE | P78334 | 2/20 | 0.45 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.45 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.45 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.45 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 5/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10258917 | 0.88 | CPB2 (0.43) | SLC1A3SLC1A2SLC1A1MEN1NPC1 | |
| SCHEMBL14672410 | 0.82 | GABRP (0.45) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL19861018 | 0.81 | CPB2 (0.46) | SLC1A3SLC1A2SLC1A1MEN1NPC1 | |
| SCHEMBL29027157 | 0.78 | FOLH1 (0.59) | CYP1A2FOLH1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL10400730 | 0.76 | CYP1A2 (0.58) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL12438356 | 0.76 | CYP1A2 (0.58) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL28035873 | 0.76 | GABRP (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL2457733 | 0.76 | MGAM (0.41) | CYP1A2SLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL526221 | 0.75 | FOLH1 (0.41) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL6458256 | 0.74 | AKR1B1 (0.48) | MEN1KMT2A |
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-110803993-B | Synthetic method of pregabalin intermediate ethyl 2-carboxyethyl-3-nitromethylene-5-methylhexanoate | 陕西科技大学 | 2023-06-30 | — | — | CN | claimed |
| CN-110803993-A | Synthetic method of pregabalin intermediate 2-carboxyethyl-3-nitromethylene-5-ethyl methylhexanoate | 陕西科技大学 | 2020-02-18 | — | — | CN | claimed |
| CN-110803993-B | Synthetic method of pregabalin intermediate ethyl 2-carboxyethyl-3-nitromethylene-5-methylhexanoate | 陕西科技大学 | 2023-06-30 | — | — | CN | disclosed |
| CN-110803993-B | Synthetic method of pregabalin intermediate ethyl 2-carboxyethyl-3-nitromethylene-5-methylhexanoate | 陕西科技大学 | 2023-06-30 | — | — | CN | disclosed |
| CN-110803993-A | Synthetic method of pregabalin intermediate 2-carboxyethyl-3-nitromethylene-5-ethyl methylhexanoate | 陕西科技大学 | 2020-02-18 | — | — | CN | disclosed |