Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GALK1 | P51570 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15482412 | 1.00 | NPSR1 (0.48) | NPSR1HCAR2ALDH1A1TDP1LMNA | |
| SCHEMBL15482431 | 0.85 | HCAR2 (0.44) | NPSR1HCAR2ALDH1A1TDP1TSHR | |
| SCHEMBL15482562 | 0.82 | NPSR1 (0.47) | NPSR1HCAR2ALDH1A1LMNAHSD17B10 | |
| SCHEMBL15482432 | 0.81 | TDP1 (0.41) | ALDH1A1TDP1LMNAHSD17B10KDM4E | |
| SCHEMBL15482576 | 0.79 | TDP1 (0.42) | ALDH1A1TDP1MAPTTSHRCYP2C9 | |
| SCHEMBL20878796 | 0.79 | ALDH1A1 (0.42) | HCAR2ALDH1A1TDP1TSHRPRKCA | |
| SCHEMBL15482551 | 0.79 | ALDH1A1 (0.42) | HCAR2ALDH1A1TDP1TSHRPRKCA | |
| SCHEMBL9512735 | 0.79 | NPSR1 (0.56) | NPSR1HCAR2ALDH1A1TDP1LMNA | |
| SCHEMBL2952591 | 0.79 | NPSR1 (0.56) | NPSR1HCAR2ALDH1A1TDP1LMNA | |
| SCHEMBL2948325 | 0.79 | NPSR1 (0.56) | NPSR1HCAR2ALDH1A1TDP1LMNA |
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-118496114-A | Preparation method of pregabalin | 威海海洋职业学院 | 2024-08-16 | — | — | CN | disclosed |