Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 9/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 8/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.47 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.47 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.47 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30564495 | 0.88 | PTGS2 (0.61) | PTGS2AKR1C3AKR1C2PTGS1LMNA | |
| SCHEMBL31240148 | 0.82 | PTGS2 (0.48) | PTGS2AKR1C3AKR1C2PTGS1LMNA | |
| SCHEMBL600851 | 0.82 | PTGS2 (0.48) | PTGS2AKR1C3AKR1C2PTGS1LMNA | |
| SCHEMBL24031540 | 0.82 | AKR1C3 (0.61) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL29799865 | 0.82 | AKR1C3 (0.61) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL1747676 | 0.81 | NAPRT (0.48) | PTGS2AKR1C3AKR1C2PTGS1LMNA | |
| SCHEMBL29009823 | 0.81 | PTGS2 (0.47) | PTGS2AKR1C3AKR1C2PTGS1LMNA | |
| SCHEMBL25810696 | 0.81 | PTGS2 (0.47) | PTGS2AKR1C3AKR1C2PTGS1LMNA | |
| SCHEMBL31420077 | 0.81 | NAPRT (0.48) | PTGS2AKR1C3AKR1C2PTGS1LMNA | |
| SCHEMBL28438657 | 0.80 | BRD4 (0.41) | PTGS2CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6187928-B1 | TREATING FUNGAL DISEASES | THE ROCKEFELLER UNIVERSITY | 2001-02-13 | — | — | US | disclosed |
| US-6087510-A | Method of use of imidazolium cations | THE ROCKEFELLER UNIVERSITY (US) | 2000-07-11 | — | — | US | disclosed |
| US-5969150-A | FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES | THE ROCKEFELLER UNIVERSITY (US) | 1999-10-19 | — | — | US | disclosed |
| US-5874587-A | FLUORESCENCE | THE ROCKEFELLER UNIVERSITY (US) | 1999-02-23 | — | — | US | disclosed |
| US-4611890-A | Redox chromophore compounds and electrodes of metal containing substituted bipyridines | RESEARCH CORPORATION (US) | 1986-09-16 | — | — | US | disclosed |