Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.32 |
| ▸ | ILK | Q13418 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.30 |
| ▸ | HTR2A | P28223 | 2/20 | 0.30 |
| ▸ | HTR2C | P28335 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31173435 | 0.88 | PDCD1 (0.40) | PDCD1CD274TSHRHRH3KDM4E | |
| SCHEMBL31173413 | 0.86 | PDCD1 (0.34) | PDCD1CD274ILKKDM4EALDH1A1 | |
| SCHEMBL21753825 | 0.84 | PDCD1 (0.39) | PDCD1CD274 | |
| SCHEMBL30793254 | 0.75 | CHRNB2 (0.32) | PDCD1CD274 | |
| SCHEMBL31739620 | 0.75 | CXCR4 (0.34) | PDCD1CD274 | |
| SCHEMBL3548738 | 0.74 | PDCD1 (0.44) | PDCD1CD274HTR2AHTR2C | |
| SCHEMBL30793145 | 0.71 | CXCR4 (0.33) | PDCD1CD274 | |
| SCHEMBL22104649 | 0.71 | PDCD1 (0.41) | PDCD1CD274KDM4EALDH1A1HTR2A | |
| SCHEMBL31739519 | 0.69 | CXCR4 (0.33) | PDCD1CD274ILK | |
| SCHEMBL31739713 | 0.69 | NPSR1 (0.37) | PDCD1CD274KDM4E |
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-2020040326-A1 | PHENYLACETIC ACID DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING AUTOIMMUNE DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT | 가천대학교 산학협력단 | 2020-02-27 | — | — | WO | disclosed |