Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20970384 | 0.82 | CYP2C9 (0.45) | ALDH1A1TDP1ACACBPSMB5SMN1; SMN2 | |
| SCHEMBL23445694 | 0.80 | ALDH1A1 (0.42) | ALDH1A1TDP1ACACBGAA | |
| SCHEMBL19554454 | 0.79 | MMP1 (0.48) | ALDH1A1TDP1PTPN1HPGDMAPT | |
| SCHEMBL15116453 | 0.79 | MMP1 (0.48) | ALDH1A1TDP1PTPN1HPGDMAPT | |
| SCHEMBL16359203 | 0.79 | MMP1 (0.48) | ALDH1A1TDP1PTPN1HPGDMAPT | |
| SCHEMBL11890364 | 0.79 | MME (0.43) | ALDH1A1TDP1PTPN1HPGDMAPT | |
| SCHEMBL15116476 | 0.79 | PSMB5 (0.46) | ALDH1A1TDP1PTPN1HPGDMAPT | |
| SCHEMBL23445544 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TDP1PTPN1GAAPSMB5 | |
| SCHEMBL23445589 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TDP1ACACBPSMB5 | |
| SCHEMBL1668685 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPTACACBSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021104120-A1 | POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF | 重庆阿普格雷生物科技有限公司 | 2021-06-03 | — | — | WO | disclosed |