Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 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 | |
|---|---|---|---|---|
| SCHEMBL30782401 | 0.86 | TDP1 (0.34) | ALDH1A1MAPTRAB9ANPC1HPGD | |
| SCHEMBL13637522 | 0.85 | ALDH1A1 (0.44) | ALDH1A1GPR3MAPTRAB9ANPC1 | |
| SCHEMBL22018213 | 0.82 | KMT2A (0.36) | ALDH1A1MAPTRAB9AHPGDCYP1A2 | |
| SCHEMBL10154408 | 0.82 | CASP3 (0.43) | ALDH1A1GPR3MAPTRAB9ANPC1 | |
| SCHEMBL11974069 | 0.80 | GPR3 (0.45) | ALDH1A1GPR3MAPTRAB9ANPC1 | |
| SCHEMBL13799551 | 0.77 | TDP1 (0.57) | ALDH1A1NPC1HPGDTDP1POLB | |
| SCHEMBL14393100 | 0.77 | GPR3 (0.45) | ALDH1A1GPR3MAPTRAB9ANPC1 | |
| SCHEMBL10123978 | 0.76 | GPR3 (0.41) | ALDH1A1GPR3MAPTRAB9ANPC1 | |
| SCHEMBL24270357 | 0.76 | MAPT (0.40) | ALDH1A1MAPTRAB9ANPC1HPGD | |
| SCHEMBL559250 | 0.75 | TDP1 (0.51) | ALDH1A1MAPTNPC1HTTTDP1 |
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 |