Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 1/20 | 0.58 |
| ▸ | LTB4R | Q15722 | 7/20 | 0.41 |
| ▸ | LTB4R2 | Q9NPC1 | 7/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.36 |
| ▸ | SLC2A9 | Q9NRM0 | 2/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALPI | P09923 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9120331 | 0.85 | LTB4R (0.56) | PSMB5LTB4RLTB4R2ESR1ESR2 | |
| SCHEMBL30251527 | 0.85 | LTB4R (0.56) | PSMB5LTB4RLTB4R2ESR1ESR2 | |
| SCHEMBL9122046 | 0.76 | ESR1 (0.36) | PSMB5LTB4RLTB4R2ESR1ESR2 | |
| SCHEMBL9121287 | 0.76 | LTB4R (0.50) | LTB4RLTB4R2ESR1ESR2 | |
| SCHEMBL1429217 | 0.75 | PSMB5 (0.68) | PSMB5ESR1ESR2PARP1KDM4E | |
| SCHEMBL14735532 | 0.75 | KDM4E (0.54) | PSMB5KDM4EMEN1POLBGAA | |
| SCHEMBL6611223 | 0.74 | PSMB5 (1.00) | PSMB5ESR1ESR2PARP1KDM4E | |
| SCHEMBL14883890 | 0.74 | PSMB5 (0.53) | PSMB5KDM4EMEN1POLBGAA | |
| SCHEMBL14883923 | 0.74 | PSMB5 (0.53) | PSMB5KDM4EMEN1POLBGAA | |
| SCHEMBL18883724 | 0.74 | PSMB5 (0.53) | PSMB5PARP1PTPN1CYP1A1CYP1B1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0904079-B1 | ANTIDIABETIC AGENTS | MERCK & CO INC (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-0904079-A4 | — | — | 1999-05-06 | — | — | EP | disclosed |
| EP-0904079-A1 | ANTIDIABETIC AGENTS | Merck & Co., Inc. (US) | 1999-03-31 | — | — | EP | disclosed |
| US-5859051-A | ACETYLPHENOL DERIVATIVES | MERCK & CO., INC. (US) | 1999-01-12 | — | — | US | disclosed |
| WO-1997027857-A1 | ANTIDIABETIC AGENTS | MERCK & CO., INC. (US) | 1997-08-07 | — | — | WO | disclosed |
| US-5434186-A | Antiinflammatory agents | HOFFMANN-LA ROCHE INC. (US) | 1995-07-18 | — | — | US | disclosed |
| US-5273999-A | A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative | HOFFMANN-LA ROCHE INC. (US) | 1993-12-28 | — | — | US | disclosed |
| EP-0531823-A1 | Bicyclic carboxylic acid derivatives as anti-inflammatory agents | F. HOFFMANN-LA ROCHE AG (CH) | 1993-03-17 | — | — | EP | disclosed |