Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21666532 | 0.89 | BCHE (0.41) | SLC6A2SLC6A4SLC6A3NPC1MAPT | |
| SCHEMBL25883258 | 0.84 | BCHE (0.41) | SLC6A2SLC6A4SLC6A3NPC1MAPT | |
| SCHEMBL22058206 | 0.82 | GSTP1 (0.42) | GSTP1HDAC4HDAC2HDAC8SLC6A2 | |
| SCHEMBL22058897 | 0.80 | GSTP1 (0.40) | GSTP1HDAC4HDAC2HDAC8SLC6A2 | |
| SCHEMBL24027702 | 0.80 | — | — | |
| SCHEMBL25844414 | 0.80 | TYMS (0.40) | NPC1MAPTRAB9ANPSR1GAA | |
| SCHEMBL21666425 | 0.79 | PDK2 (0.38) | SLC6A4SLC6A3MAPTNOX1KDM4E | |
| SCHEMBL22058573 | 0.79 | HSD17B1 (0.41) | GSTP1HDAC4HDAC2HDAC8SLC6A2 | |
| SCHEMBL21151565 | 0.79 | GPR55 (0.36) | MAPTMAPK1KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL22058913 | 0.79 | MEN1 (0.42) | GSTP1HDAC4HDAC2HDAC8SLC6A2 |
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-4113643-B1 | SPIRO[FLUORENE-9,9'-(THIO)XANTHENE] COMPOUNDS | MERCK PATENT GMBH (DE) | 2023-08-09 | — | — | EP | disclosed |