Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.67 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.67 |
| ▸ | RGS12 | O14924 | 1/20 | 0.67 |
| ▸ | GLA | P06280 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.67 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.67 |
| ▸ | HTR2A | P28223 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | THPO | P40225 | 1/20 | 0.67 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL23999268 | 1.00 | CYP2D6 (0.67) | CYP2D6ADRA1ACYP3A4CHRM2RGS12 | |
| Oxilofrine SCHEMBL5173040 | 0.83 | ADRA1A (0.67) | CYP2D6ADRA1ACYP3A4CHRM2RGS12 | |
| Oxilofrine SCHEMBL14153976 | 0.83 | ADRA1A (0.67) | CYP2D6ADRA1ACYP3A4CHRM2RGS12 | |
| Oxilofrine SCHEMBL147458 | 0.83 | ADRA1A (0.67) | CYP2D6ADRA1ACYP3A4CHRM2RGS12 | |
| Oxilofrine SCHEMBL14465574 | 0.83 | ADRA1A (0.67) | CYP2D6ADRA1ACYP3A4CHRM2RGS12 | |
| Oxilofrine SCHEMBL4256893 | 0.83 | ADRA1A (0.67) | CYP2D6ADRA1ACYP3A4CHRM2RGS12 | |
| SCHEMBL23999278 | 0.81 | ADRA1A (0.44) | CYP2D6ADRA1ACYP3A4CHRM2RGS12 | |
| SCHEMBL12102509 | 0.81 | CYP2D6 (0.64) | CYP2D6ADRA1ACYP3A4CHRM2RGS12 | |
| Oxilofrine SCHEMBL5174274 | 0.81 | KMT2A (0.68) | CYP2D6ADRA1ACYP3A4CHRM2RGS12 | |
| SCHEMBL30367094 | 0.81 | ADRA1A (0.44) | CYP2D6ADRA1ACYP3A4CHRM2RGS12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115996933-A | Boric acid derivatives and synthesis, polymorphism and therapeutic uses thereof | QPEX生物制药有限公司 | 2023-04-21 | — | — | CN | disclosed |
| WO-2021226114-A1 | BORONIC ACID DERIVATIVES AND SYNTHESIS, POLYMORPHIC FORMS, AND THERAPEUTIC USES THEREOF | QPEX BIOPHARMA, INC. (US) | 2021-11-11 | — | — | WO | disclosed |