Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 3/20 | 0.51 |
| ▸ | PTGES | O14684 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11863432 | 0.94 | CACNA2D1 (0.48) | CACNA2D1MAPTLMNAKDM4ETP53 | |
| SCHEMBL1305606 | 0.89 | KDM4E (0.51) | PTGESMAPTLMNAKDM4ETP53 | |
| SCHEMBL11247332 | 0.82 | CACNA2D1 (0.51) | CACNA2D1PTGESMAPTLMNAKDM4E | |
| SCHEMBL11245330 | 0.82 | CACNA2D1 (0.51) | CACNA2D1PTGESMAPTLMNAKDM4E | |
| SCHEMBL11865062 | 0.82 | RAB9A (0.46) | CACNA2D1MAPTKDM4ETP53ALDH1A1 | |
| SCHEMBL11239685 | 0.80 | PTGES (0.50) | CACNA2D1PTGESMAPTLMNAKDM4E | |
| SCHEMBL11469872 | 0.80 | CACNA2D1 (0.48) | CACNA2D1PTGESMAPTLMNAKDM4E | |
| SCHEMBL11240284 | 0.80 | PTGES (0.57) | CACNA2D1PTGESMAPTLMNATP53 | |
| SCHEMBL11247874 | 0.76 | CACNA2D1 (0.55) | CACNA2D1MAPTKDM4ETP53ALDH1A1 | |
| SCHEMBL13108709 | 0.76 | ALDH1A1 (0.53) | CACNA2D1MAPTKDM4ETP53ALDH1A1 |
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 |