Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | TACR2 | P21452 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL39524 | 0.94 | TYR (0.43) | PTGS2TYRGPR84ESR1TP53 | |
| SCHEMBL7626442 | 0.93 | PTGS2 (0.51) | PTGS2CYP3A4TYRGPR84ESR1 | |
| SCHEMBL39094 | 0.93 | PTGS2 (0.51) | PTGS2CYP3A4TYRGPR84ESR1 | |
| SCHEMBL27690311 | 0.93 | PTGS2 (0.51) | PTGS2CYP3A4TYRGPR84ESR1 | |
| SCHEMBL8990191 | 0.93 | PTGS2 (0.51) | PTGS2CYP3A4TYRGPR84ESR1 | |
| SCHEMBL6650280 | 0.90 | TYR (0.43) | PTGS2CYP3A4TYRESR1TP53 | |
| SCHEMBL6654287 | 0.90 | TYR (0.43) | PTGS2CYP3A4TYRESR1TP53 | |
| SCHEMBL7170978 | 0.88 | TYR (0.39) | TYRGPR84ESR1SHBGTP53 | |
| SCHEMBL200318 | 0.83 | PTGS2 (0.62) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL200893 | 0.83 | PTGS2 (0.62) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0670842-B1 | BETA CRYSTALLINE MODIFICATION OF 2,2',2''-NITRILO TRIETHYL-TRIS-(3,3',5,5'-TETRA-TERT-BUTYL-1,1'-BIPHENYL-2,2'-DIYL) PHOSPHITE] | CIBA GEIGY AG (CH) | 1997-01-22 | — | — | EP | disclosed |