Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.41 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4567237 | 0.86 | GABBR2 (0.53) | BRD4OPRM1AOC3GABBR2GABBR1 | |
| SCHEMBL7496510 | 0.82 | OPRM1 (0.43) | OPRM1AOC3LMNAKMT2AFFAR1 | |
| SCHEMBL12861359 | 0.82 | TACR1 (0.40) | OPRM1MEN1KMT2A | |
| SCHEMBL8605476 | 0.81 | CHRNB2 (0.53) | OPRM1LMNAMEN1KMT2A | |
| SCHEMBL12861292 | 0.81 | ALDH1A1 (0.57) | OPRM1AOC3MEN1KMT2A | |
| SCHEMBL12861282 | 0.80 | OPRM1 (0.49) | OPRM1AOC3MEN1KMT2A | |
| SCHEMBL16795852 | 0.80 | MAOA (0.42) | BRD4AOC3GABBR2GABBR1CYP2C9 | |
| SCHEMBL12861378 | 0.79 | PTGS2 (0.47) | OPRM1MEN1KMT2AFFAR1 | |
| SCHEMBL5321171 | 0.79 | HTT (0.44) | CYP2C9LMNACYP2D6CYP2C19CYP3A4 | |
| SCHEMBL12861372 | 0.79 | CHRNB2 (0.36) | OPRM1CYP2C19KMT2ACYP3A4TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110039714-A1 | Probes, Systems, and Methods for Drug Discovery | VTVX HOLDINGS I LLC | 2011-02-17 | — | — | US | disclosed |
| WO-2003104216-A1 | UROTENSIN II RECEPTOR MODULATORS | ACADIA PHARMACEUTICALS INC. (US) | 2003-12-18 | — | — | WO | disclosed |