Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11379363 | 0.84 | HTR2A (0.46) | HTR2AHRH1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11397484 | 0.84 | HTR2A (0.44) | HTR2AHRH1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11392282 | 0.81 | SLC6A4 (0.49) | HTR2AHRH1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11385815 | 0.81 | CHRNA7 (0.53) | HTR2ASLC6A4SLC6A2SLC6A3CHRNA7 | |
| SCHEMBL11387509 | 0.77 | MAOA (0.41) | HTR2AHRH1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11384620 | 0.76 | HTR2A (0.47) | HTR2AHRH1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11382582 | 0.76 | SLC6A4 (0.41) | SLC6A4SLC6A2CHRNA7ALDH1A1HPGD | |
| SCHEMBL11384304 | 0.73 | SLC6A4 (0.54) | HTR2AHRH1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11379483 | 0.73 | HRH1 (0.49) | HTR2AHRH1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11382805 | 0.73 | MAOA (0.40) | SLC6A4SLC6A2SLC6A3ALDH1A1 |
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-4285961-A | MICROBIOCIDES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-08-25 | — | — | US | disclosed |