Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | POLA1 | P09884 | 4/20 | 0.44 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL12821663 | 0.89 | CYP3A4 (0.42) | CYP3A4CYP2C9TSHRCYP2C19POLA1 | |
| SCHEMBL16499505 | 0.89 | CYP3A4 (0.42) | CYP3A4CYP2C9TSHRCYP2C19POLA1 | |
| SCHEMBL12821627 | 0.85 | SLC6A4 (0.37) | CYP3A4CYP2C9TSHRCYP2C19SLC6A3 | |
| SCHEMBL16499376 | 0.85 | SLC6A4 (0.37) | CYP3A4CYP2C9TSHRCYP2C19SLC6A3 | |
| SCHEMBL16499264 | 0.82 | TRPA1 (0.35) | CYP3A4MAPK1MEN1KMT2A | |
| SCHEMBL12825623 | 0.82 | TRPA1 (0.35) | CYP3A4MAPK1MEN1KMT2A | |
| SCHEMBL12813322 | 0.81 | CYP19A1 (0.36) | ALDH1A1PDE7ALMNAKMT2ASLC6A3 | |
| SCHEMBL16499567 | 0.81 | TRPA1 (0.39) | SIGMAR1 | |
| SCHEMBL12813600 | 0.81 | CYP19A1 (0.36) | ALDH1A1PDE7ALMNAKMT2ASLC6A3 | |
| SCHEMBL16499383 | 0.81 | TRPA1 (0.39) | SIGMAR1 |
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-2012134971-A2 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS, INC. (US) | 2012-10-04 | — | — | WO | disclosed |