Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
| ▸ | PDK1 | Q15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL22018211 | 0.91 | MEN1 (0.37) | RAB9AL3MBTL1MEN1KMT2ANPC1 | |
| SCHEMBL22018208 | 0.85 | MAPT (0.32) | MEN1KMT2AALDH1A1MAPTTP53 | |
| SCHEMBL22018372 | 0.83 | MAPT (0.33) | HCRTR1RAB9AADRB2L3MBTL1ALDH1A1 | |
| SCHEMBL22018385 | 0.83 | MAPT (0.31) | RAB9AMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL22018210 | 0.83 | MEN1 (0.31) | MEN1KMT2AALDH1A1MAPTHTT | |
| SCHEMBL22018387 | 0.80 | RAB9A (0.46) | HCRTR1RAB9AADRB2L3MBTL1MEN1 | |
| SCHEMBL22018213 | 0.77 | KMT2A (0.36) | RAB9AL3MBTL1MEN1KMT2AALDH1A1 | |
| SCHEMBL22018615 | 0.72 | ALDH1A1 (0.41) | RAB9AL3MBTL1MEN1KMT2ANPC1 | |
| SCHEMBL22018384 | 0.71 | MEN1 (0.44) | RAB9AADRB2L3MBTL1MEN1KMT2A | |
| SCHEMBL22018214 | 0.68 | NPC1 (0.30) | RAB9ANPC1SMN1; SMN2 |
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-2020099793-A1 | NOVEL BENZOTHIOXANTHENE P-CONJUGATED MOLECULES FOR ENERGY STORAGE | UNIVERSITE D'ANGERS (FR) | 2020-05-22 | — | — | WO | disclosed |