Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.69 |
| ▸ | LMNA | P02545 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL21551975 | 0.94 | TSHR (0.59) | TSHRLMNAALDH1A1KDM4ECYP2D6 | |
| SCHEMBL21551964 | 0.90 | TSHR (0.54) | TSHRLMNAALDH1A1SMN1; SMN2CYP2D6 | |
| SCHEMBL21551983 | 0.84 | CYP1A2 (0.54) | TSHRALDH1A1SMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL21551941 | 0.83 | HDAC6 (0.62) | TSHRMAPT | |
| SCHEMBL21551982 | 0.82 | ALDH1A1 (0.59) | TSHRLMNAALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL21551944 | 0.78 | TSHR (0.59) | TSHRLMNAALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL29818241 | 0.77 | TSHR (0.73) | TSHRLMNAALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL3028602 | 0.76 | TSHR (0.77) | TSHRALDH1A1SMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL21552245 | 0.76 | CD274 (0.68) | LMNAALDH1A1SMN1; SMN2MAOAMAOB | |
| SCHEMBL6034019 | 0.76 | TSHR (0.85) | TSHRALDH1A1KDM4ECYP2D6MAOA |
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 |