Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 4/20 | 0.45 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CASR | P41180 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11247823 | 0.82 | ALDH1A1 (0.49) | MAPTTP53CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11479881 | 0.79 | TP53 (0.43) | CACNA2D1MAPTTP53NQO1CYP1A2 | |
| SCHEMBL13108709 | 0.79 | ALDH1A1 (0.53) | CACNA2D1MAPTTP53NQO1CYP1A2 | |
| SCHEMBL11483014 | 0.79 | NQO1 (0.48) | CACNA2D1MAPTTP53NQO1CYP1A2 | |
| SCHEMBL11247874 | 0.79 | CACNA2D1 (0.55) | CACNA2D1MAPTTP53NQO1ALDH1A1 | |
| SCHEMBL11466969 | 0.78 | MAPT (0.54) | CACNA2D1MAPTTP53NQO1MEN1 | |
| SCHEMBL11863432 | 0.78 | CACNA2D1 (0.48) | CACNA2D1MAPTTP53NQO1CYP1A2 | |
| SCHEMBL11241755 | 0.78 | CACNA2D1 (0.47) | CACNA2D1MAPTTP53NQO1CYP1A2 | |
| SCHEMBL11469872 | 0.76 | CACNA2D1 (0.48) | CACNA2D1MAPTTP53NQO1ALDH1A1 | |
| SCHEMBL11468034 | 0.76 | RAB9A (0.41) | CACNA2D1MAPTTP53CYP1A2CASR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4190725-A | ANTIINFLAMMATORY | ELI LILLY AND COMPANY (US) | 1980-02-26 | — | — | US | disclosed |
| US-4021553-A | 5,6-Diaryl-1,2,4-triazines as topically-active anti-inflammatory agents | ELI LILLY AND COMPANY (US) | 1977-05-03 | — | — | US | disclosed |