Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 5/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | TACR2 | P21452 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12278962 | 0.74 | THRA (0.35) | PTGS2THRATHRBCYP3A4SPHK2 | |
| SCHEMBL28232953 | 0.73 | LTB4R (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL8564302 | 0.73 | LTB4R (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL28814537 | 0.73 | LTB4R (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL18067897 | 0.72 | PTGS2 (0.46) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL2012315 | 0.71 | PTGS2 (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL17707867 | 0.71 | LTB4R (0.45) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL1323842 | 0.71 | PTGS2 (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL3555634 | 0.71 | PTGS2 (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL196514 | 0.71 | PTGS2 (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109369686-A | One kind being based on Thienopyrroles diketone type small molecule receptor material and its preparation and application | 华南理工大学 | 2019-02-22 | — | — | CN | disclosed |