Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.32 |
| ▸ | VEGFA | P15692 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ARNT | P27540 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11816808 | 0.91 | ALDH1A1 (0.38) | ALDH1A1NPC1MITFLMNAMAPT | |
| SCHEMBL11813265 | 0.84 | ALDH1A1 (0.36) | ALDH1A1NPC1MITFLMNAMAPT | |
| SCHEMBL11810808 | 0.83 | LMNA (0.39) | ALDH1A1NPC1MITFLMNAMAPT | |
| SCHEMBL11815809 | 0.81 | ALDH1A1 (0.39) | ALDH1A1EPAS1VEGFACYP1A2CYP3A4 | |
| SCHEMBL11855873 | 0.81 | S1PR1 (0.35) | ALDH1A1NPC1MITFLMNAMAPT | |
| SCHEMBL11865094 | 0.81 | ABL1 (0.37) | ALDH1A1NPC1MITFLMNAMAPT | |
| SCHEMBL11866540 | 0.80 | LMNA (0.33) | ALDH1A1NPC1MITFLMNAMAPT | |
| SCHEMBL11819343 | 0.79 | KCNH2 (0.41) | ALDH1A1NPC1MITFLMNAMAPT | |
| SCHEMBL11825070 | 0.77 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11818540 | 0.76 | ALDH1A1 (0.32) | ALDH1A1MAPTEPAS1VEGFACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-3954792-A | 2-Dialkylamino-5-trifluoromethyl-7-nitrobenzimidazoles | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |