Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2836915 | 1.00 | SLC6A3 (0.34) | SLC6A3SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL3236796 | 1.00 | SLC6A3 (0.34) | SLC6A3SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL2831354 | 1.00 | SLC6A3 (0.34) | SLC6A3SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL2149129 | 0.88 | SLC6A3 (0.37) | SLC6A3SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL2149025 | 0.88 | SLC6A3 (0.37) | SLC6A3SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL2837237 | 0.87 | SLC6A2 (0.36) | SLC6A3SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL2829896 | 0.87 | SLC6A2 (0.36) | SLC6A3SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL2837387 | 0.86 | SLC6A2 (0.35) | SLC6A3SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL2834248 | 0.86 | SLC6A2 (0.35) | SLC6A3SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL2834258 | 0.79 | KDM4E (0.43) | MEN1KMT2AALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |