Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | VEGFA | P15692 | 1/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15416947 | 0.90 | HRH4 (0.54) | SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL9965802 | 0.89 | MEN1 (0.64) | MEN1KMT2ATDP1HRH4MAOA | |
| Hydrochloric Acid SCHEMBL4349681 | 0.87 | MEN1 (0.61) | MEN1KMT2ATDP1HRH4MAOA | |
| SCHEMBL16812954 | 0.82 | SMN1; SMN2 (0.75) | SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL8498074 | 0.81 | LTA4H (0.57) | SMN1; SMN2MEN1KMT2AALDH1A1TDP1 | |
| SCHEMBL12655414 | 0.79 | HRH4 (0.63) | SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL24023612 | 0.79 | SMN1; SMN2 (0.56) | SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL13127773 | 0.78 | CHRM2 (0.40) | SMN1; SMN2MEN1KMT2AALDH1A1TDP1 | |
| SCHEMBL13335610 | 0.78 | NR3C2 (0.48) | — | |
| SCHEMBL10045136 | 0.77 | SMN1; SMN2 (0.68) | SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8633175-B2 | Compounds as antagonists or inverse agonists at opioid receptors | GLAXOSMITHKLINE LLC (US) | 2014-01-21 | — | — | US | disclosed |