Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 3/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL764926 | 0.83 | CYP4F2 (0.68) | TDP1CYP4F2CYP4A11EPHX1PTGS2 | |
| SCHEMBL13583897 | 0.79 | TDP1 (0.82) | TDP1APPLMNAALOX5 | |
| SCHEMBL7930119 | 0.79 | ADRB2 (0.52) | CYP4F2CYP4A11EPHX1PTGS2CXCR1 | |
| SCHEMBL25146565 | 0.79 | CYP4F2 (0.62) | TDP1CYP4F2CYP4A11PTGS2 | |
| SCHEMBL9350223 | 0.78 | CYP4F2 (0.46) | TDP1CYP4F2CYP4A11EPHX1PTGS2 | |
| SCHEMBL19376388 | 0.77 | PTGS2 (0.63) | EPHX1PTGS2CXCR1CXCR2PTGS1 | |
| SCHEMBL28021635 | 0.77 | CYP4F2 (0.48) | TDP1CYP4F2CYP4A11PTGS2PTGS1 | |
| SCHEMBL25146512 | 0.77 | CYP4F2 (0.44) | TDP1CYP4F2CYP4A11EPHX1PTGS2 | |
| SCHEMBL27261552 | 0.76 | PTGS2 (0.47) | EPHX1PTGS2CXCR1CXCR2PTGS1 | |
| SCHEMBL9350581 | 0.76 | THRB (0.47) | CYP4F2CYP4A11EPHX1PTGS2CXCR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108191846-A | High-penetration composition and its application | 于崇曦 | 2018-06-22 | — | — | CN | disclosed |
| CN-107320732-A | High-penetration composition and its application | 于崇曦 | 2017-11-07 | — | — | CN | disclosed |
| CN-107261149-A | High-penetration composition and its application | 于崇曦 | 2017-10-20 | — | — | CN | disclosed |
| CN-101822841-B | Application of organic amine derivatives as brain-targeting modification group of small-molecule drug | UNIV SICHUAN | 2012-02-15 | — | — | CN | disclosed |
| CN-101822841-A | Application of organic amine derivatives as brain-targeting modification group of small-molecule drug | UNIV SICHUAN | 2010-09-08 | — | — | CN | disclosed |