Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 3/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | F12 | P00748 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11370420 | 0.86 | DHFR (0.56) | ROCK1BACE1NOS1TLR7TLR8 | |
| SCHEMBL11366326 | 0.84 | TLR7 (0.43) | ROCK1NOS3NOS2TLR7TLR8 | |
| SCHEMBL11368123 | 0.84 | HSP90AB1 (0.46) | ROCK1DHFRL3MBTL1ALDH1A1 | |
| SCHEMBL11375758 | 0.83 | BACE1 (0.47) | BACE1DHFR | |
| SCHEMBL11377984 | 0.83 | TLR8 (0.47) | TLR7TLR8L3MBTL1LTA4HMAPK14 | |
| SCHEMBL11377589 | 0.81 | ALDH1A1 (0.49) | ROCK1TLR7TLR8DHFRLTA4H | |
| SCHEMBL10529725 | 0.80 | ALDH1A1 (0.48) | TLR7TLR8DHFRL3MBTL1PIM1 | |
| SCHEMBL11372762 | 0.79 | PNP (0.37) | ROCK1BACE1F12PLAUNCF1 | |
| SCHEMBL11370503 | 0.79 | TLR8 (0.46) | BACE1F12PLAUNCF1NOS3 | |
| SCHEMBL11365568 | 0.79 | MPO (0.42) | BACE1F12PLAUNCF1NOS3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4260759-A | CONDENSATION OF NITRILES | SCHERING-CORPORATION (US) | 1981-04-07 | — | — | US | disclosed |
| US-4115395-A | FUNGICIDES, BACTERICIDES | SCHERING CORPORATION (US) | 1978-09-19 | — | — | US | disclosed |
| US-4107166-A | ANTIFUNGAL, ANTIBACTERIAL | SCHERING CORPORATION (US) | 1978-08-15 | — | — | US | disclosed |
| US-4017500-A | FUNGICIDES, BACTERICIDES | SCHERING CORPORATION (US) | 1977-04-12 | — | — | US | disclosed |