Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 4/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11860981 | 0.94 | CACNA2D1 (0.51) | CACNA2D1MAPTTP53KDM4ENFKB1 | |
| SCHEMBL11865062 | 0.87 | RAB9A (0.46) | CACNA2D1MAPTTP53KDM4ENFKB1 | |
| SCHEMBL11483014 | 0.81 | NQO1 (0.48) | CACNA2D1MAPTTP53NQO1KDM4E | |
| SCHEMBL13108709 | 0.81 | ALDH1A1 (0.53) | CACNA2D1MAPTTP53NQO1KDM4E | |
| SCHEMBL11247874 | 0.81 | CACNA2D1 (0.55) | CACNA2D1MAPTTP53NQO1KDM4E | |
| SCHEMBL1305606 | 0.81 | KDM4E (0.51) | MAPTTP53KDM4EALDH1A1RAB9A | |
| SCHEMBL11241755 | 0.80 | CACNA2D1 (0.47) | CACNA2D1MAPTTP53NQO1KDM4E | |
| SCHEMBL11469872 | 0.79 | CACNA2D1 (0.48) | CACNA2D1MAPTTP53NQO1KDM4E | |
| SCHEMBL11477306 | 0.78 | GPR84 (0.51) | CACNA2D1MAPTTP53NQO1KDM4E | |
| SCHEMBL11477369 | 0.78 | CACNA2D1 (0.45) | CACNA2D1MAPTTP53NQO1KDM4E |
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-3989831-A | Topically-active anti-inflammatory 3-chloro-5,6-diaryl-1,2,4-triazines | ELI LILLY AND COMPANY (US) | 1976-11-02 | — | — | US | disclosed |