Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13216162 | 0.72 | SLC6A3 (0.44) | SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E | |
| SCHEMBL31386905 | 0.71 | ALDH1A1 (0.49) | SLC6A3SLC6A4BRAFSLC6A2ALDH1A1 | |
| SCHEMBL31330024 | 0.70 | BRAF (0.46) | SLC6A3SLC6A4BRAFSLC6A2ALDH1A1 | |
| SCHEMBL9488402 | 0.69 | SLC6A3 (0.63) | SLC6A3SLC6A4BRAFSLC6A2ALDH1A1 | |
| SCHEMBL13982727 | 0.69 | MAPT (0.60) | SLC6A3SLC6A4BRAFALDH1A1KDM4E | |
| SCHEMBL21685755 | 0.67 | ILK (0.51) | ALDH1A1KDM4EGLAHSD17B10KMT2A | |
| SCHEMBL6714832 | 0.67 | CYP2C19 (0.49) | SLC6A3SLC6A4BRAFSLC6A2KMT2A | |
| SCHEMBL69464 | 0.67 | SLC6A3 (0.67) | SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E | |
| SCHEMBL17674239 | 0.66 | KMT2A (0.56) | ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA | |
| SCHEMBL29410907 | 0.65 | SLC6A3 (0.50) | SLC6A3SLC6A4BRAFSLC6A2ALDH1A1 |
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-2024255697-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2024-12-19 | — | — | WO | disclosed |