Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ERN1 | O75460 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21635975 | 0.77 | ACHE (0.39) | CYP3A4KMT2AERN1ALDH1A1LMNA | |
| SCHEMBL11705542 | 0.69 | MAOB (0.59) | PDE4DKDM4EALDH1A1MAPTPDE4A | |
| SCHEMBL5446248 | 0.69 | ATM (0.59) | PDE4DCYP1A2CYP3A4CYP2D6KMT2A | |
| SCHEMBL9552869 | 0.68 | KMT2A (0.56) | PDE4DKMT2AALDH1A1MAPTPDE4A | |
| SCHEMBL23653794 | 0.68 | ACHE (0.48) | CYP3A4KMT2AALDH1A1LMNAMAPT | |
| SCHEMBL4247817 | 0.67 | KMT2A (0.48) | CYP1A2CYP3A4CYP2D6KMT2AKDM4E | |
| SCHEMBL10667947 | 0.66 | MAPT (0.48) | KMT2AKDM4EALDH1A1MAPTL3MBTL1 | |
| SCHEMBL11801831 | 0.66 | TSHR (0.63) | CYP1A2CYP3A4KMT2ALMNAMEN1 | |
| SCHEMBL24915901 | 0.64 | KMT2A (0.47) | CYP1A2KMT2AALDH1A1MAPTMMP9 | |
| SCHEMBL1343898 | 0.64 | TAAR1 (0.55) | KMT2AALDH1A1AOC3MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022117059-A1 | SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF | 瑞石生物医药有限公司 | 2022-06-09 | — | — | WO | disclosed |