Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.34 |
| ▸ | ESRRG | P62508 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28201867 | 0.75 | CYP19A1 (0.48) | CYP19A1LMNAALDH1A1TSHRACHE | |
| SCHEMBL7642983 | 0.64 | GFER (0.52) | ADRB2ADRB1ADRB3CYP19A1ESRRG | |
| SCHEMBL9321897 | 0.63 | ESR1 (0.69) | CYP19A1LMNACYP1A2CYP3A4MAOA | |
| SCHEMBL23735027 | 0.63 | ALDH1A1 (0.42) | LMNAALDH1A1ESR1ESR2MAPT | |
| SCHEMBL9321894 | 0.63 | ESR1 (0.69) | CYP19A1LMNACYP1A2CYP3A4MAOA | |
| SCHEMBL24638041 | 0.62 | CYP19A1 (0.43) | CYP19A1ESRRGLMNAALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL10388041 | 0.62 | ADRB2 (0.50) | ADRB2ADRB1ADRB3CYP19A1ESRRG | |
| SCHEMBL14193922 | 0.61 | PTGS1 (0.48) | ALDH1A1CYP2C19CYP1A2HDAC3HDAC1 | |
| SCHEMBL27969386 | 0.60 | PTGS1 (0.47) | LMNAALDH1A1ESR1ESR2MAPT | |
| SCHEMBL6615523 | 0.59 | EPHX2 (0.46) | ADRB2ADRB1ADRB3ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023287736-A1 | NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2023-01-19 | — | — | WO | disclosed |