Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.37 |
| ▸ | ADH1A | P07327 | 3/20 | 0.35 |
| ▸ | ADH1C | P00326 | 2/20 | 0.35 |
| ▸ | ADH4 | P08319 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19773294 | 0.94 | CYP1A2 (0.35) | GBA1ADH1AADH1CCYP1A2DRD2 | |
| SCHEMBL19773375 | 0.90 | CYP1A2 (0.38) | GBA1ADH1AADH1CADH4CYP1A2 | |
| SCHEMBL20087343 | 0.89 | ADH1A (0.39) | ADH1AADH1CDRD2DRD4DRD3 | |
| SCHEMBL16609158 | 0.85 | GBA1 (0.35) | GBA1ADH1AADH1CADH4CYP1A2 | |
| SCHEMBL20091610 | 0.82 | SIGMAR1 (0.32) | ADH1AADH1CSIGMAR1 | |
| SCHEMBL6659181 | 0.81 | CYP1A2 (0.41) | GBA1ADH1AADH1CADH4CYP1A2 | |
| SCHEMBL6660371 | 0.80 | ADH1A (0.41) | ADH1AADH1CDRD2DRD3SIGMAR1 | |
| SCHEMBL15508594 | 0.79 | DRD3 (0.44) | GBA1ADH1AADH1CADH4DRD2 | |
| SCHEMBL6744902 | 0.79 | CYP1A2 (0.39) | GBA1ADH1AADH1CADH4CYP1A2 | |
| SCHEMBL14098507 | 0.78 | ADH1A (0.34) | ADH1AADH1CDRD2DRD3SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3269742-B1 | POLYMERIZATION INITIATOR, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHODS FOR PREPARING THEM | LG CHEMICAL LTD (KR) | 2019-06-19 | — | — | EP | disclosed |