Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCL8 | P10145 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8905538 | 0.89 | LMNA (0.42) | CYP3A4HPGDMEN1KMT2ALMNA | |
| SCHEMBL8905047 | 0.87 | AKR1B1 (0.37) | CXCL8AKR1B1PTGS1PTGS2GLO1 | |
| SCHEMBL8906334 | 0.80 | PTGS2 (0.39) | CXCL8AKR1B1PTGS1PTGS2GLO1 | |
| SCHEMBL8905800 | 0.80 | AKR1B1 (0.54) | CXCL8AKR1B1PTGS1PTGS2GLO1 | |
| SCHEMBL8293709 | 0.76 | PTGS2 (0.46) | CXCL8AKR1B1PTGS1PTGS2GLO1 | |
| SCHEMBL8905896 | 0.74 | PTGS2 (0.41) | CXCL8AKR1B1PTGS1PTGS2GLO1 | |
| SCHEMBL8905386 | 0.74 | ABCB11 (0.39) | AKR1B1PTGS2CYP3A4L3MBTL1MEN1 | |
| SCHEMBL11711178 | 0.74 | PTGS2 (0.58) | CXCL8AKR1B1PTGS1PTGS2GLO1 | |
| SCHEMBL8906098 | 0.73 | AKR1B1 (0.41) | CXCL8AKR1B1PTGS1PTGS2GLO1 | |
| SCHEMBL8904523 | 0.72 | ABCB11 (0.45) | AKR1B1PTGS2CYP3A4HPGDL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5622948-A | ANALGESICS | SYNTEX (U.S.A.) INC. (US) | 1997-04-22 | — | — | US | disclosed |
| EP-0714895-A1 | Pyrrole derivatives | F. Hoffmann-La Roche AG (CH) | 1996-06-05 | — | — | EP | disclosed |