Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | CD274 | Q9NZQ7 | 8/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL21551954 | 0.94 | TSHR (0.69) | TSHRALDH1A1MAOAMAOBLMNA | |
| SCHEMBL21551983 | 0.90 | CYP1A2 (0.54) | TSHRALDH1A1HPGDPOLBKDM4E | |
| SCHEMBL21551941 | 0.89 | HDAC6 (0.62) | TSHRHDAC2HDAC8HDAC6ABL1 | |
| SCHEMBL21551964 | 0.84 | TSHR (0.54) | TSHRALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL6034019 | 0.82 | TSHR (0.85) | TSHRCD274ALDH1A1HTR1AMAOA | |
| SCHEMBL21552245 | 0.82 | CD274 (0.68) | CD274ALDH1A1HTR1AMAOAMAOB | |
| SCHEMBL6569882 | 0.78 | CD274 (0.77) | TSHRCD274ALDH1A1HTR1AMAOA | |
| SCHEMBL7487910 | 0.78 | CD274 (0.66) | TSHRCD274ALDH1A1HTR1AMAOA | |
| SCHEMBL7487923 | 0.78 | CD274 (0.66) | TSHRCD274ALDH1A1HTR1AMAOA | |
| SCHEMBL1662866 | 0.78 | CD274 (0.71) | TSHRCD274ALDH1A1HTR1AMAOA |
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 |