Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.72 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.67 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.66 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.66 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.66 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.66 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.66 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.66 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.66 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.66 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.66 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.66 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.66 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.66 |
| ▸ | PTGES | O14684 | 1/20 | 0.66 |
| ▸ | CA12 | O43570 | 1/20 | 0.66 |
| ▸ | PDE5A | O76074 | 1/20 | 0.66 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.66 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL8266070 | 0.90 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL9273738 | 0.90 | PTGS2 (0.72) | PTGS2PTGS1CYP2C9CYP3A4TSHR | |
| SCHEMBL9208582 | 0.88 | PTGS2 (0.74) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL5147701 | 0.88 | PTGS2 (0.71) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL18467072 | 0.88 | PTGS2 (0.68) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL4032238 | 0.88 | PTGS1 (0.74) | PTGS2PTGS1CYP2C9PDPK1CYP3A4 | |
| SCHEMBL9201352 | 0.86 | PTGS2 (0.68) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL15424743 | 0.86 | PTGS2 (0.63) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL7461307 | 0.85 | PTGS2 (0.67) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL8954495 | 0.85 | PTGS2 (0.81) | PTGS2PTGS1CYP2C9PDPK1HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023168108-A2 | SYNTHESIS OF SULFUR(VI) COMPOUNDS AND REAGENTS FOR SAME | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2023-09-07 | — | — | WO | disclosed |
| WO-2023063884-A2 | GENERATION OF CHIRAL SULFINATE ESTERS | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2023-04-20 | — | — | WO | disclosed |