Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21551964 | 0.94 | TSHR (0.54) | CYP1A2CYP2D6CYP2C9ALDH1A1KMT2A | |
| SCHEMBL21551941 | 0.91 | HDAC6 (0.62) | NPSR1HDAC2HDAC8HDAC6MAPT | |
| SCHEMBL21551975 | 0.90 | TSHR (0.59) | CYP1A2CYP2D6ALDH1A1HPGDKDM4E | |
| SCHEMBL21551954 | 0.84 | TSHR (0.69) | CYP2D6CYP2C9ALDH1A1MEN1KMT2A | |
| SCHEMBL21552169 | 0.81 | ALDH1A1 (0.63) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL2493968 | 0.80 | ALDH1A1 (0.71) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL21551953 | 0.78 | CYP1A2 (0.50) | CYP1A2ALDH1A1HPGDKMT2AKDM4E | |
| SCHEMBL21552083 | 0.75 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2AMAPTHTR3A | |
| SCHEMBL13988350 | 0.74 | NPSR1 (0.62) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL13988399 | 0.74 | NPSR1 (0.62) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 |
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 |