Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11544195 | 1.00 | PTGS2 (0.46) | PTGS2CES2CES1ESR1NPSR1 | |
| SCHEMBL11832605 | 0.84 | CA2 (0.46) | CES2CES1NPSR1CA1CA2 | |
| SCHEMBL11538451 | 0.81 | PTGS2 (0.47) | PTGS2CES2CES1ESR1NPSR1 | |
| SCHEMBL11538453 | 0.81 | PTGS2 (0.47) | PTGS2CES2CES1ESR1NPSR1 | |
| SCHEMBL3223439 | 0.80 | CES2 (0.42) | PTGS2CES2CES1NPSR1CA1 | |
| SCHEMBL4256199 | 0.80 | CES2 (0.42) | PTGS2CES2CES1NPSR1CA1 | |
| SCHEMBL27480948 | 0.79 | CYP2C19 (0.43) | PTGS2CES2CES1NPSR1CA1 | |
| SCHEMBL5051065 | 0.75 | TSHR (0.44) | NPSR1CA1CA2CA9CA12 | |
| SCHEMBL6465386 | 0.71 | CES2 (0.44) | PTGS2CES2CES1NPSR1CA1 | |
| SCHEMBL3902058 | 0.71 | ESR1 (0.56) | PTGS2CES2CES1ESR1CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4136180-A | HYPOLIPIDEMIC SUBSTITUTED STYRENESULFONYLUREAS | PFIZER INC. (US) | 1979-01-23 | — | — | US | disclosed |
| US-4062960-A | Hypolipidemic alkenesulfonamides | PFIZER INC. (US) | 1977-12-13 | — | — | US | disclosed |
| US-3983107-A | ARTERIOSCLEROSIS | PFIZER INC. (US) | 1976-09-28 | — | — | US | disclosed |