Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | SCN4A | P35499 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30264722 | 0.85 | — | — | |
| SCHEMBL530880 | 0.85 | — | — | |
| SCHEMBL440943 | 0.84 | TSHR (0.52) | TAAR1NOTUMIDO1TSHRNUDT1 | |
| SCHEMBL31067139 | 0.83 | PDK2 (0.38) | NOTUMIDO1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20898317 | 0.83 | PDK2 (0.38) | NOTUMIDO1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2495961 | 0.83 | NUDT1 (0.44) | TAAR1NOTUMIDO1TSHRNUDT1 | |
| SCHEMBL9844861 | 0.77 | CYP11B1 (0.36) | TAAR1CYP1A2CYP2C9CYP2C19TDP1 | |
| SCHEMBL29385608 | 0.77 | CYP2A6 (0.52) | TAAR1NOTUMIDO1TSHRNUDT1 | |
| SCHEMBL381601 | 0.77 | CYP2A6 (0.52) | TAAR1NOTUMIDO1TSHRNUDT1 | |
| SCHEMBL31339483 | 0.77 | NOTUM (0.36) | TAAR1NOTUMIDO1TSHRNUDT1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8481327-B2 | Methods for using congeneric, chlorinated, brominated and/or iodised, fluorinated aromatic standard compounds having two benzol rings | CHIRON AS (NO) | 2013-07-09 | — | — | US | disclosed |
| US-20110229973-A1 | CONGENERIC, CHLORINATED, BROMINATED AND/OR IODISED, FLUORINATED AROMATIC COMPOUNDS COMPRISING TWO BENZOL RINGS IN THEIR BASIC STRUCTURE, METHOD FOR THEIR PRODUCTION AND USE THEREOF | CHIRON AS (NO) | 2011-09-22 | — | — | US | disclosed |
| WO-2005077868-A2 | CONGENERIC, CHLORINATED, BROMINATED AND/OR IODISED, FLUORINATED AROMATIC COMPOUNDS COMPRISING TWO BENZOL RINGS IN THEIR BASIC STRUCTURE, METHOD FOR THEIR PRODUCTION AND USE THEREOF | CHIRON AS (NO) | 2005-08-25 | — | — | WO | disclosed |