Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 3/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29923614 | 0.76 | HTR2C (0.38) | BRD4 | |
| SCHEMBL30847749 | 0.76 | HSD11B1 (0.40) | ALDH1A1MAPT | |
| SCHEMBL23346796 | 0.74 | MAPT (0.39) | SLC6A2SLC6A4ALDH1A1LMNAMAPT | |
| SCHEMBL14283937 | 0.74 | ESR1 (0.35) | CYP1A2LMNAMAPT | |
| SCHEMBL5714026 | 0.74 | SRD5A1 (0.35) | BRD4TRPA1CYP1A2CYP2A6GABRA1 | |
| Iodide SCHEMBL28915713 | 0.73 | HSD17B3 (0.40) | SLC6A3ALDH1A1LMNAMAPK1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28747930 | 0.73 | MAPT (0.41) | SLC6A2SLC6A4ALDH1A1LMNAMAPT | |
| SCHEMBL28599880 | 0.71 | ALDH1A1 (0.36) | ALDH1A1MAPTMAPK1L3MBTL1 | |
| SCHEMBL10670398 | 0.70 | CA12 (0.34) | BRD4SRD5A1SLC6A3NPC1MAPT | |
| Iodide SCHEMBL30293255 | 0.70 | LMNA (0.39) | BRD4CYP1A2ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-4055013-A1 | WDR5 INHIBITORS AND MODULATORS | Vanderbilt University (US) | 2022-09-14 | — | — | EP | disclosed |