Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 3/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL27847238 | 0.76 | PTGDR2 (0.71) | PTGDR2AKR1B1CYP2C9 | |
| SCHEMBL27864170 | 0.72 | PARP14 (0.44) | PTGDR2AKR1B1CYP2C9TYMSENPP2 | |
| SCHEMBL1194103 | 0.72 | AKR1B1 (0.55) | PTGDR2AKR1B1CYP2C9TYMSENPP2 | |
| SCHEMBL1406039 | 0.71 | PTGDR2 (0.53) | PTGDR2AKR1B1CYP2C9TYMSENPP2 | |
| SCHEMBL5350725 | 0.67 | TYMS (0.45) | CYP2C9TYMSENPP2EGFRMEN1 | |
| SCHEMBL2984548 | 0.65 | MEN1 (0.46) | TYMSENPP2MEN1KMT2ALMNA | |
| SCHEMBL4909751 | 0.60 | TYMS (0.48) | PTGDR2CYP2C9TYMSMEN1KMT2A | |
| SCHEMBL1251770 | 0.60 | PTGS2 (0.52) | TYMSPTGS1PTGS2 | |
| SCHEMBL16240660 | 0.59 | RHEB (0.44) | — | |
| SCHEMBL1406074 | 0.59 | TYMS (0.43) | PTGDR2AKR1B1CYP2C9TYMSMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102391171-A | Novel Substituted 3-Sulfur Indoles | ASTRAZENECA AB | 2012-03-28 | — | — | CN | disclosed |