Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.49 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2863690 | 0.82 | MEN1 (0.59) | GPR35PDE10ANOS1NOS2CYP1A2 | |
| SCHEMBL9669275 | 0.79 | ALDH1A1 (0.44) | GPR35CYP1A2ALDH1A1HSP90AA1CYP2C19 | |
| SCHEMBL9670143 | 0.77 | KDM4E (0.52) | GPR35PDE10ANOS1NOS2CYP1A2 | |
| SCHEMBL9670624 | 0.76 | EGFR (0.42) | GPR35PDE10ANOS1NOS2CYP1A2 | |
| SCHEMBL28610797 | 0.74 | GPR35 (0.44) | GPR35ALDH1A1HSP90AA1CYP3A4TP53 | |
| SCHEMBL29626558 | 0.74 | ALDH1A1 (0.61) | TYMSGPR35PDE10ANOS1NOS2 | |
| SCHEMBL187697 | 0.74 | ALDH1A1 (0.61) | TYMSGPR35PDE10ANOS1NOS2 | |
| SCHEMBL9669331 | 0.74 | TYMS (0.45) | TYMSCYP1A2ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL2927810 | 0.73 | GPR35 (0.60) | TYMSGPR35PDE10ANOS1NOS2 | |
| SCHEMBL18416514 | 0.73 | PDE10A (0.75) | PDE10ACYP1A2ALDH1A1HSP90AA1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0283959-B1 | HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1992-01-02 | — | — | EP | disclosed |
| US-4912108-A | Containing hydroxy substitution | A/S FERROSAN (DK) | 1990-03-27 | — | — | US | disclosed |
| US-4889855-A | ADMINISTERING GLUTAMATE ANTAGONIST TO INHIBIT HYPERACTIVITY OF EXCITATORY NEUROTRANSMITTERS | A/S FERROSAN (DK) | 1989-12-26 | — | — | US | disclosed |
| EP-0283959-A1 | Heterocyclic compounds and their preparation and use | NOVO NORDISK A/S (DK) | 1988-09-28 | — | — | EP | disclosed |