Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.51 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL289716 | 0.87 | GAA (0.58) | GAAKMT2ACYP2D6CYP2C19MEN1 | |
| SCHEMBL18204743 | 0.87 | GAA (0.58) | GAAKMT2ACYP2D6CYP2C19MEN1 | |
| SCHEMBL1613647 | 0.87 | GAA (0.58) | GAAKMT2ACYP2D6CYP2C19MEN1 | |
| SCHEMBL28559507 | 0.86 | KMT2A (0.58) | GAAKMT2ACYP2D6CYP2C19MEN1 | |
| SCHEMBL28559505 | 0.86 | KMT2A (0.58) | GAAKMT2ACYP2D6CYP2C19MEN1 | |
| SCHEMBL8279100 | 0.85 | P2RX7 (0.54) | GAAKMT2ACYP2D6CYP2C19HCRTR2 | |
| SCHEMBL31239576 | 0.85 | P2RX7 (0.54) | GAAKMT2ACYP2D6CYP2C19HCRTR2 | |
| SCHEMBL21183520 | 0.84 | GAA (0.56) | GAAKMT2ACYP2D6CYP2C19MEN1 | |
| SCHEMBL6997222 | 0.84 | GAA (0.58) | GAAKMT2ACYP2D6CYP2C19MEN1 | |
| SCHEMBL21869790 | 0.80 | GAA (0.62) | GAAKMT2ACYP2D6CYP2C19MEN1 |
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-2016179460-A1 | TRICYCLIC SULFONES AS RORϒ MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-11-10 | — | — | WO | disclosed |