Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.52 |
| ▸ | ESR1 | P03372 | 4/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27869438 | 0.88 | KIF11 (0.52) | KIF11ESR1ESR2SLC6A2SLC6A4 | |
| SCHEMBL747351 | 0.83 | KIF11 (0.48) | KIF11ESR1ESR2SLC6A2SLC6A4 | |
| SCHEMBL752057 | 0.79 | SLC6A2 (0.73) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL29104009 | 0.77 | KIF11 (0.44) | KIF11ESR1ESR2 | |
| SCHEMBL29238643 | 0.76 | KIF11 (0.49) | KIF11ESR1ESR2KMT2A | |
| SCHEMBL22461557 | 0.76 | KIF11 (0.55) | KIF11ESR1ESR2SLC6A2SLC6A4 | |
| SCHEMBL22461558 | 0.76 | KIF11 (0.55) | KIF11ESR1ESR2SLC6A2SLC6A4 | |
| SCHEMBL751483 | 0.71 | KIF11 (0.48) | KIF11ESR1ESR2SLC6A2SLC6A4 | |
| SCHEMBL20533479 | 0.69 | KIF11 (0.40) | KIF11 | |
| SCHEMBL20533478 | 0.69 | KIF11 (0.40) | KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102458123-A | Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof | ALBANY MOLECULAR RES INC | 2012-05-16 | — | — | CN | disclosed |