Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | RET | P07949 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.40 |
| ▸ | HRH1 | P35367 | 8/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.40 |
| ▸ | HTR2B | P41595 | 7/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.40 |
| ▸ | LMNA | P02545 | 6/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.40 |
| ▸ | DRD2 | P14416 | 6/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 6/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.40 |
| ▸ | HTR2A | P28223 | 6/20 | 0.40 |
| ▸ | HTR2C | P28335 | 6/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 6/20 | 0.40 |
| ▸ | DRD3 | P35462 | 6/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL654406 | 0.83 | LMNA (0.61) | CYP1A2CYP3A4RETCYP2C19SLC6A2 | |
| SCHEMBL15908322 | 0.81 | CYP3A4 (0.50) | CYP1A2CYP3A4RETCYP2C19SLC6A2 | |
| SCHEMBL8185708 | 0.81 | HTR2B (0.42) | CYP1A2CYP3A4RETCYP2C19SLC6A2 | |
| SCHEMBL8185372 | 0.81 | SIGMAR1 (0.50) | CYP1A2CYP3A4CYP2C19SLC6A2HRH1 | |
| SCHEMBL653565 | 0.81 | CYP3A4 (0.63) | CYP1A2CYP3A4RETCYP2C19SLC6A2 | |
| SCHEMBL656251 | 0.77 | LTK (0.49) | RETLMNANTRK1NPC1HTT | |
| SCHEMBL2858563 | 0.77 | BCHE (0.44) | CYP1A2CYP3A4RETCYP2C19SLC6A2 | |
| SCHEMBL656250 | 0.77 | LTK (0.49) | RETLMNANTRK1NPC1HTT | |
| SCHEMBL2878604 | 0.77 | BCHE (0.44) | CYP1A2CYP3A4RETCYP2C19SLC6A2 | |
| SCHEMBL6968239 | 0.77 | HTR2B (0.49) | CYP1A2CYP3A4RETCYP2C19SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0869954-B1 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF NEUROGENIC INFLAMMATION | NOVO NORDISK AS (DK) | 2001-09-19 | — | — | EP | disclosed |
| EP-0869954-A1 | NOVEL HETEROCYCLIC COMPOUNDS | NOVO NORDISK A/S (DK) | 1998-10-14 | — | — | EP | disclosed |
| WO-1996031499-A1 | NOVEL HETEROCYCLIC COMPOUNDS | NOVO NORDISK A/S (DK) | 1996-10-10 | — | — | WO | disclosed |