Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27740054 | 0.98 | PTGS2 (0.47) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL27740037 | 0.94 | HPGD (0.45) | PTGS2CYP3A4GPR84ALDH1A1HSD17B10 | |
| SCHEMBL8185681 | 0.85 | — | — | |
| SCHEMBL9769235 | 0.80 | — | — | |
| SCHEMBL25632015 | 0.79 | PTGS2 (0.48) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL25706166 | 0.79 | PTGS2 (0.48) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL9768921 | 0.79 | PTGS2 (0.45) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL6946812 | 0.78 | PTGS2 (0.53) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL18067893 | 0.76 | PTGS2 (0.46) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL9003918 | 0.76 | PTGS2 (0.42) | PTGS2CYP3A4GPR84ESR1ADRA2A |
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-4992534-A | Anticarcinogenic agents with better water solubility, low toxicity, absorption and stability | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-02-12 | — | — | US | disclosed |
| EP-0303269-A2 | 2'-Deoxy-5-fluorouridine derivatives, process for preparing the same and the use thereof | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1989-02-15 | — | — | EP | disclosed |