Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.48 |
| ▸ | NOS2 | P35228 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 8/20 | 0.38 |
| ▸ | MAOA | P21397 | 7/20 | 0.38 |
| ▸ | KDM1A | O60341 | 5/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL546334 | 1.00 | NOS1 (0.48) | NOS1NOS2TAAR1MAOBMAOA | |
| SCHEMBL4751341 | 1.00 | NOS1 (0.48) | NOS1NOS2TAAR1MAOBMAOA | |
| SCHEMBL186274 | 0.93 | NOS1 (0.52) | NOS1NOS2TAAR1MAOBMAOA | |
| SCHEMBL3173918 | 0.91 | NOS1 (0.50) | NOS1NOS2TAAR1MAOBMAOA | |
| SCHEMBL8542775 | 0.91 | NOS1 (0.50) | NOS1NOS2TAAR1MAOBMAOA | |
| SCHEMBL1749974 | 0.83 | NOS1 (0.44) | NOS1NOS2TAAR1MAOBMAOA | |
| SCHEMBL7765323 | 0.83 | ALDH1A1 (0.41) | NOS1NOS2MAOBMAOACYP2D6 | |
| SCHEMBL7764535 | 0.83 | ALDH1A1 (0.41) | NOS1NOS2MAOBMAOACYP2D6 | |
| SCHEMBL7854036 | 0.81 | NOS1 (0.38) | NOS1NOS2TAAR1MAOBMAOA | |
| SCHEMBL2749914 | 0.80 | CYP1A2 (0.39) | NOS1NOS2CYP2C19CYP1A2LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010022055-A2 | INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | AMGEN INC. (US) | 2010-02-25 | — | — | WO | claimed |
| WO-2008140810-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-11-20 | — | — | WO | claimed |
| WO-2010022055-A2 | INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | AMGEN INC. (US) | 2010-02-25 | — | — | WO | disclosed |
| WO-2008140810-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-11-20 | — | — | WO | disclosed |