Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 3/20 | 0.38 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL5199111 | 0.82 | NCEH1 (0.40) | ACHE | |
| SCHEMBL5199101 | 0.81 | ACHE (0.47) | ACHE | |
| SCHEMBL3870674 | 0.80 | ACHE (0.44) | CYP1A2CYP2D6CYP2C19TDP1L3MBTL1 | |
| SCHEMBL5197871 | 0.77 | NPSR1 (0.48) | CYP1A2TDP1SMN1; SMN2FAAH | |
| SCHEMBL3863051 | 0.76 | MAOA (0.38) | CYP1A2CYP2D6CYP2C19TDP1L3MBTL1 | |
| SCHEMBL3873468 | 0.76 | KDM4E (0.39) | CYP1A2CYP2D6CYP2C19TDP1L3MBTL1 | |
| SCHEMBL6950962 | 0.72 | NCEH1 (0.40) | ACHE | |
| SCHEMBL5198292 | 0.70 | ACHE (0.52) | ACHE | |
| SCHEMBL3864617 | 0.70 | PPARG (0.45) | CYP1A2CYP2C19TDP1L3MBTL1ACHE | |
| SCHEMBL3863741 | 0.70 | ACHE (0.72) | ACHESLC6A4KDM4ESMN1; SMN2FAAH |
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 |
|---|---|---|---|---|---|---|---|
| EP-1362844-B1 | BENZYLAMINE ANALOGUE | BTG INT LTD (GB) | 2007-12-05 | — | — | EP | disclosed |