Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2662792 | 0.82 | S1PR1 (0.41) | S1PR1RAPGEF4IDO1SMN1; SMN2PNMT | |
| SCHEMBL12107538 | 0.81 | CYP3A4 (0.54) | CYP3A4ALDH1A1NPSR1KDM1AKDM4E | |
| P-Xylene SCHEMBL28217877 | 0.81 | CYP3A4 (0.38) | CYP3A4ALDH1A1NPSR1KDM4EMAPT | |
| SCHEMBL4026046 | 0.79 | CYP3A4 (0.48) | CYP3A4ALDH1A1NPSR1KDM1AKDM4E | |
| SCHEMBL30031076 | 0.79 | CYP3A4 (0.48) | CYP3A4ALDH1A1NPSR1KDM1AKDM4E | |
| SCHEMBL1755262 | 0.79 | MAPT (0.49) | CYP3A4ALDH1A1NPSR1KDM1AKDM4E | |
| P-Xylene SCHEMBL28217852 | 0.78 | IDO1 (0.38) | CYP3A4ALDH1A1MAPTAGTR1S1PR1 | |
| SCHEMBL9788481 | 0.78 | IDO1 (0.58) | IDO1SMN1; SMN2PNMTSIGMAR1 | |
| SCHEMBL2622769 | 0.78 | ALDH1A1 (0.40) | CYP3A4ALDH1A1GAAMAPTNPC1 | |
| SCHEMBL11086985 | 0.77 | IDO1 (0.64) | CYP3A4ALDH1A1NPSR1KDM1AKDM4E |
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-1632483-B1 | HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | AVENTIS PHARMA INC (US) | 2008-10-29 | — | — | EP | disclosed |
| WO-2008098244-A1 | NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR | METABASIS THERAPEUTICS, INC. (US) | 2008-08-14 | — | — | WO | disclosed |
| CN-1668601-A | N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2005-09-14 | — | — | CN | disclosed |