Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL21551985 | 0.94 | CD274 (0.67) | ALDH1A1HTR1AMAOAMAOBKCNH2 | |
| SCHEMBL21551989 | 0.90 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL21551990 | 0.89 | LMNA (0.54) | ALDH1A1SMN1; SMN2KDM4ELMNAMEN1 | |
| SCHEMBL21551982 | 0.88 | ALDH1A1 (0.59) | TSHRALDH1A1HTR1AMAOAMAOB | |
| Eprobemide SCHEMBL570896 | 0.82 | ALDH1A1 (0.85) | TSHRALDH1A1HTR1AMAOAMAOB | |
| SCHEMBL21552245 | 0.82 | CD274 (0.68) | ALDH1A1HTR1AMAOAMAOBKCNH2 | |
| Eprobemide SCHEMBL10495496 | 0.81 | ALDH1A1 (0.82) | TSHRALDH1A1HTR1AMAOAMAOB | |
| SCHEMBL21551954 | 0.78 | TSHR (0.69) | TSHRALDH1A1MAOAMAOBSMN1; SMN2 | |
| SCHEMBL21552083 | 0.78 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2A | |
| SCHEMBL21551981 | 0.77 | LMNA (0.52) | ALDH1A1SMN1; SMN2KDM4ELMNAMEN1 |
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 |