Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | DRD5 | P21918 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9375738 | 0.81 | KDM4E (0.65) | KDM4EALOX15TSHRSIRT1DRD2 | |
| SCHEMBL7839080 | 0.79 | CYP2D6 (0.45) | KDM4EALOX15TSHRSIRT1DRD2 | |
| SCHEMBL24437908 | 0.77 | KDM4E (0.63) | KDM4EALOX15TSHRSIRT1DRD2 | |
| SCHEMBL11458214 | 0.76 | NR3C1 (0.53) | KDM4EALOX15TSHRSIRT1DRD3 | |
| SCHEMBL8013456 | 0.75 | CYP2D6 (0.64) | KDM4EALOX15TSHRSIRT1DRD2 | |
| SCHEMBL7609349 | 0.73 | SLC6A1 (0.54) | — | |
| Hydrochloric Acid SCHEMBL7842784 | 0.73 | SLC6A1 (0.53) | — | |
| SCHEMBL86299 | 0.73 | MAOA (0.50) | MAOAALDH1A1MAPTBCHECES1 | |
| SCHEMBL91647 | 0.72 | ALDH1A1 (0.42) | DRD2DRD5DRD3ALDH1A1CES1 | |
| SCHEMBL9466888 | 0.71 | KDM4E (0.69) | KDM4EALOX15TSHRSIRT1DRD2 |
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-0820450-B1 | N-substituted azaheterocyclic carboxylic acids and alkylesters thereof | NOVO NORDISK AS (DK) | 2001-09-12 | — | — | EP | disclosed |
| EP-0820450-A1 | NOVEL HETEROCYCLIC COMPOUNDS | NOVO NORDISK A/S (DK) | 1998-01-28 | — | — | EP | disclosed |
| WO-1996031497-A1 | NOVEL HETEROCYCLIC COMPOUNDS | NOVO NORDISK A/S (DK) | 1996-10-10 | — | — | WO | disclosed |