Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | POLA1 | P09884 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12825563 | 1.00 | OPRD1 (0.46) | OPRD1POLA1CYP3A4CYP2C9TSHR | |
| SCHEMBL16499555 | 1.00 | OPRD1 (0.46) | OPRD1POLA1CYP3A4CYP2C9TSHR | |
| SCHEMBL16499412 | 1.00 | OPRD1 (0.46) | OPRD1POLA1CYP3A4CYP2C9TSHR | |
| SCHEMBL12821475 | 0.84 | BACE1 (0.39) | OPRD1OPRK1 | |
| SCHEMBL16499411 | 0.84 | NR1H2 (0.49) | POLA1CYP3A4ALDH1A1ACHEMEN1 | |
| SCHEMBL12821620 | 0.82 | GSTP1 (0.41) | OPRD1TSHRALDH1A1GAAOPRK1 | |
| SCHEMBL16499462 | 0.81 | OPRK1 (0.39) | OPRD1TSHRALDH1A1MEN1GAA | |
| SCHEMBL16499381 | 0.81 | HSD11B1 (0.36) | OPRD1POLA1OPRK1 | |
| SCHEMBL12825569 | 0.81 | OPRK1 (0.39) | OPRD1TSHRALDH1A1MEN1GAA | |
| SCHEMBL12825604 | 0.81 | ACHE (0.37) | CYP3A4CYP2C19ALDH1A1ACHEMETAP1 |
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 |