Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 11/20 | 0.57 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.57 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.57 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.57 |
| ▸ | ALB | P02768 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | RARB | P10826 | 1/20 | 0.57 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.57 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.57 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL11438957 | 0.95 | PTGS2 (0.62) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL8734620 | 0.84 | PTGS2 (0.62) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL5157269 | 0.83 | PTGS2 (0.61) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL31240124 | 0.82 | PTGS2 (0.65) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL6687476 | 0.81 | PTGS2 (0.59) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL2829730 | 0.81 | PTGS2 (0.59) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL2888908 | 0.81 | PTGS2 (0.59) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL16413957 | 0.81 | PTGS2 (0.59) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL5845762 | 0.81 | PTGS2 (0.59) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL4243294 | 0.80 | PTGS2 (0.50) | PTGS2PTGS1AKR1C3LMNACYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0739338-A4 | NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE | UNIV WICHITA STATE (US) | 1997-03-26 | — | — | EP | disclosed |
| EP-0739338-A1 | NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE | THE WICHITA STATE UNIVERSITY (US) | 1996-10-30 | — | — | EP | disclosed |
| US-5550139-A | ANTIINFLAMMATORY AGENT, ANTITUMOR AGENT, ANTICARCINOGENIC AGENT | THE WICHITA STATE UNIVERSITY (US) | 1996-08-27 | — | — | US | disclosed |
| WO-1995018797-A1 | NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE | THE WICHITA STATE UNIVERSITY (US) | 1995-07-13 | — | — | WO | disclosed |