Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 4/20 | 0.66 |
| ▸ | CD274 | Q9NZQ7 | 4/20 | 0.66 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16245269 | 0.91 | PDCD1 (0.76) | PDCD1CD274S1PR1S1PR3APOBEC3G | |
| SCHEMBL6027619 | 0.90 | PDCD1 (0.69) | PDCD1CD274P2RX7TRPA1ATM | |
| SCHEMBL30255315 | 0.90 | PDCD1 (0.69) | PDCD1CD274P2RX7TRPA1ATM | |
| SCHEMBL17697639 | 0.90 | PDCD1 (0.58) | PDCD1CD274P2RX7TRPA1ATM | |
| SCHEMBL29645271 | 0.87 | PDCD1 (0.57) | PDCD1CD274TRPA1ATMESR1 | |
| SCHEMBL92946 | 0.87 | PDCD1 (0.57) | PDCD1CD274TRPA1ATMESR1 | |
| SCHEMBL17697637 | 0.86 | PDCD1 (0.50) | PDCD1CD274P2RX7TRPA1ATM | |
| SCHEMBL562696 | 0.86 | PDCD1 (0.63) | PDCD1CD274P2RX7TRPA1ATM | |
| Ammonia Solution, Strong SCHEMBL4609369 | 0.85 | PDCD1 (0.55) | PDCD1CD274TRPA1ATMESR1 | |
| Hydrogen Sulfide SCHEMBL3190770 | 0.85 | PDCD1 (0.55) | PDCD1CD274TRPA1ATMESR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697339-A1 | 3-(4-BENZYLOXYPHENYL)PROPANOIC ACID DERIVATIVES | Takeda Pharmaceutical Company Limited (JP) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005063729-A1 | 3-(4-BENZYLOXYPHENYL)PROPANOIC ACID DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-07-14 | — | — | WO | disclosed |