Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9173470 | 0.94 | CYP2A6 (0.33) | CYP2A6TAAR1HTR2AHTR2C | |
| SCHEMBL2530790 | 0.84 | KDM1A (0.39) | TAAR1HTR2AHTR2CLOXL2 | |
| Hydrochloric Acid SCHEMBL52044 | 0.83 | KDM1A (0.38) | TAAR1MAPTALOX15LOXL2 | |
| SCHEMBL13068536 | 0.81 | KDM1A (0.36) | CYP2A6TAAR1HTR2AHTR2CLOXL2 | |
| SCHEMBL28879858 | 0.75 | CYP2A6 (0.47) | CYP2A6TAAR1HTR2AMAPTALOX15 | |
| SCHEMBL18719606 | 0.75 | CYP2A6 (0.47) | CYP2A6TAAR1HTR2AMAPTALOX15 | |
| SCHEMBL14495351 | 0.74 | LOXL2 (0.31) | LOXL2 | |
| SCHEMBL30107438 | 0.73 | ALDH1A1 (0.38) | TAAR1HTR2AHTR2CALOX15 | |
| SCHEMBL28798079 | 0.73 | MAPT (0.40) | CYP2A6TAAR1GAAMAPTALOX15 | |
| SCHEMBL2039343 | 0.73 | KDM1A (0.35) | TAAR1HTR2AHTR2CLOXL2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11091646-B2 | Luminescent squaraine rotaxane compounds | SETA BIOMEDICALS, LLC (US) | 2021-08-17 | — | — | US | disclosed |
| US-20200199369-A9 | LUMINESCENT SQUARAINE ROTAXANE COMPOUNDS | SETA BIOMEDICALS, LLC | 2020-06-25 | — | — | US | disclosed |
| US-20190048196-A1 | LUMINESCENT SQUARAINE ROTAXANE COMPOUNDS | SETA BIOMEDICALS LLC (US) | 2019-02-14 | — | — | US | disclosed |