Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | GID4 | Q8IVV7 | 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 | |
|---|---|---|---|---|
| SCHEMBL15110660 | 0.91 | CHRM2 (0.67) | HDAC1CHRM2LMNACYP1A2CYP3A4 | |
| SCHEMBL7066938 | 0.85 | CHRM2 (0.74) | HDAC1CHRM2LMNATAAR1CYP1A2 | |
| SCHEMBL9080452 | 0.83 | MEN1 (0.61) | HDAC1CHRM2LMNATAAR1CYP1A2 | |
| SCHEMBL22000113 | 0.81 | BCHE (0.55) | CHRM2LMNA | |
| SCHEMBL1348877 | 0.80 | HDAC1 (0.59) | HDAC1CHRM2TAAR1 | |
| SCHEMBL17463900 | 0.79 | MAOA (0.52) | HDAC1LMNATAAR1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL3340188 | 0.79 | HDAC1 (0.57) | HDAC1CHRM2TAAR1MAOB | |
| Biphenyl SCHEMBL6360803 | 0.79 | MEN1 (0.67) | CHRM2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5269653 | 0.79 | MEN1 (0.55) | LMNATAAR1CYP1A2CYP2D6 | |
| SCHEMBL11513070 | 0.78 | FFAR1 (0.57) | LMNATAAR1MAOB |
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 |