Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SGMS2 | Q8NHU3 | 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 | |
|---|---|---|---|---|
| SCHEMBL10971393 | 0.80 | IDO1 (0.41) | CYP2C9CYP2C19CYP3A4SLC6A4SLC6A2 | |
| SCHEMBL3811153 | 0.73 | SLC6A2 (0.45) | CYP2C9CYP2C19CYP3A4SLC6A4SLC6A2 | |
| SCHEMBL7847759 | 0.73 | HTT (0.39) | CYP2C9CYP2C19CYP3A4SLC6A4SLC6A2 | |
| SCHEMBL1355001 | 0.72 | SLC6A2 (0.44) | CYP2C9CYP2C19CYP3A4SLC6A4SLC6A2 | |
| SCHEMBL12694282 | 0.72 | TSHR (0.44) | CYP2C9CYP2C19SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL21727833 | 0.72 | TSHR (0.44) | CYP2C9CYP2C19SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL18554463 | 0.72 | TSHR (0.44) | CYP2C9CYP2C19SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL18759588 | 0.71 | SLC6A4 (0.46) | CYP2C9CYP2C19CYP3A4SLC6A4SLC6A2 | |
| SCHEMBL2791590 | 0.71 | TDP1 (0.44) | ALDH1A1 | |
| SCHEMBL3779628 | 0.71 | CA1 (0.44) | CYP2C9CYP2C19SLC6A4SLC6A2SLC6A3 |
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-2020249663-A1 | NOVEL SPIROBICYCLIC INTERMEDIATES | JANSSEN PHARMACEUTICA NV (BE) | 2020-12-17 | — | — | WO | disclosed |