Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 1.00 |
| ▸ | NPC1 | O15118 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 1/20 | 1.00 |
| ▸ | RAB9A | P51151 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 5/20 | 0.87 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.87 |
| ▸ | TSHR | P16473 | 4/20 | 0.87 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.87 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.87 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.87 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.87 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.73 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.73 |
| ▸ | HTR1A | P08908 | 1/20 | 0.73 |
| ▸ | GAA | P10253 | 1/20 | 0.73 |
| ▸ | DRD3 | P35462 | 1/20 | 0.73 |
| ▸ | SCN1A | P35498 | 1/20 | 0.73 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.73 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.73 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL28281238 | 1.00 | ALDH1A1 (1.00) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL1265146 | 1.00 | ALDH1A1 (1.00) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL769503 | 1.00 | ALDH1A1 (1.00) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL10663602 | 1.00 | ALDH1A1 (1.00) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL1265838 | 1.00 | ALDH1A1 (1.00) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL204048 | 1.00 | ALDH1A1 (1.00) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL3320139 | 1.00 | ALDH1A1 (1.00) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| Ammonia Solution, Strong SCHEMBL11630445 | 0.98 | ALDH1A1 (0.97) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL769120 | 0.98 | ALDH1A1 (0.97) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| Nitrogen SCHEMBL27803541 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1MAPTRAB9ALMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109180685-B | Liquid crystal material and preparation method and application thereof | 北京理工大学 | 2020-03-27 | — | — | CN | disclosed |
| US-5482986-A | ULTRAVIOLET RADIATION ABSORBER FOR THERMOPLASTIC RESINS; COLORLESS, HEAT RESISTANCE | MITSUI TOATSU CHEMICALS, INC. (JP) | 1996-01-09 | — | — | US | disclosed |
| EP-0635504-A1 | Benzopyran compound and use of the same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1995-01-25 | — | — | EP | disclosed |