Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | HTR1A | P08908 | 1/20 | 0.67 |
| ▸ | MAOA | P21397 | 1/20 | 0.67 |
| ▸ | MAOB | P27338 | 1/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.67 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL21551944 | 0.94 | TSHR (0.59) | CD274ALDH1A1HTR1AMAOAMAOB | |
| SCHEMBL21552245 | 0.88 | CD274 (0.68) | CD274ALDH1A1HTR1AMAOAMAOB | |
| SCHEMBL21551989 | 0.83 | ALDH1A1 (0.54) | ALDH1A1KMT2ALMNASMN1; SMN2CYP1A2 | |
| SCHEMBL21551990 | 0.82 | LMNA (0.54) | ALDH1A1KMT2ALMNAHTTSMN1; SMN2 | |
| SCHEMBL21551982 | 0.82 | ALDH1A1 (0.59) | CD274ALDH1A1HTR1AMAOAMAOB | |
| Moclobemide SCHEMBL49708 | 0.81 | CD274 (1.00) | CD274ALDH1A1HTR1AMAOAMAOB | |
| Moclobemide SCHEMBL3408310 | 0.81 | CD274 (1.00) | CD274ALDH1A1HTR1AMAOAMAOB | |
| Moclobemide SCHEMBL11475483 | 0.80 | CD274 (0.97) | CD274ALDH1A1HTR1AMAOAMAOB | |
| SCHEMBL7487923 | 0.80 | CD274 (0.66) | CD274ALDH1A1HTR1AMAOAMAOB | |
| SCHEMBL7487910 | 0.80 | CD274 (0.66) | CD274ALDH1A1HTR1AMAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019216810-A1 | NEW ANTIFUNGAL COMPOUNDS | URBAN CONSTANTIN (SE) | 2019-11-14 | — | — | WO | claimed |
| WO-2019216810-A1 | NEW ANTIFUNGAL COMPOUNDS | URBAN CONSTANTIN (SE) | 2019-11-14 | — | — | WO | disclosed |