Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | CXCR1 | P25024 | 4/20 | 0.50 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.50 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.50 |
| ▸ | ALB | P02768 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | RARB | P10826 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1483380 | 0.82 | ALDH1A1 (0.52) | ALDH1A1MAPK1TDP1CYP2C9LMNA | |
| SCHEMBL59197 | 0.81 | PTGS2 (0.74) | PTGS2ALDH1A1PTGS1AKR1C3CYP2C9 | |
| SCHEMBL6688306 | 0.79 | PTGS2 (0.61) | PTGS2ALDH1A1MAPK1PTGS1AKR1C3 | |
| SCHEMBL4488292 | 0.79 | PTGS2 (0.61) | PTGS2ALDH1A1MAPK1PTGS1AKR1C3 | |
| SCHEMBL10958350 | 0.78 | PTGS2 (0.59) | PTGS2ALDH1A1MAPK1PTGS1AKR1C3 | |
| SCHEMBL11245534 | 0.77 | PTGS2 (0.53) | PTGS2ALDH1A1MAPK1PTGS1AKR1C3 | |
| SCHEMBL11245539 | 0.77 | PTGS2 (0.53) | PTGS2ALDH1A1MAPK1PTGS1AKR1C3 | |
| SCHEMBL11704768 | 0.76 | TYR (0.59) | PTGS2ALDH1A1PTGS1AKR1C3CYP2C9 | |
| SCHEMBL693837 | 0.76 | TYR (0.59) | PTGS2ALDH1A1PTGS1AKR1C3CYP2C9 | |
| SCHEMBL29954993 | 0.76 | TYR (0.59) | PTGS2ALDH1A1PTGS1AKR1C3CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2341944-A2 | CONJUGATES OF HEXOSE AND METAL COORDINATING COMPOUNDS FOR IMAGING PURPOSES | Mallinckrodt Inc. (US) | 2011-07-13 | — | — | EP | disclosed |
| WO-2010039609-A2 | A VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY | MALLINCKRODT INC. (US) | 2010-04-08 | — | — | WO | disclosed |
| EP-0306168-A1 | Preparation of radiolabeled conjugates | IMMUNOMEDICS, INC. (US) | 1989-03-08 | — | — | EP | disclosed |