Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7833326 | 0.81 | TP53 (0.41) | CYP3A4TSHRTP53KDM4EMAPT | |
| SCHEMBL3483987 | 0.79 | MGLL (0.42) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL7014237 | 0.74 | TP53 (0.52) | CYP1A2CYP3A4ALDH1A1TP53MEN1 | |
| SCHEMBL31559833 | 0.74 | TP53 (0.52) | CYP1A2CYP3A4ALDH1A1TP53MEN1 | |
| SCHEMBL7062684 | 0.72 | CYP2D6 (0.73) | CYP3A4MEN1MAPK1KMT2ADRD2 | |
| SCHEMBL7825844 | 0.67 | PARK7 (0.47) | CYP3A4MEN1MAPTMAPK1KMT2A | |
| SCHEMBL5007556 | 0.67 | HSPA9 (0.39) | CYP3A4TP53KDM4EMEN1MAPT | |
| SCHEMBL7837760 | 0.66 | TP53 (0.44) | CYP3A4TSHRTP53KDM4EMEN1 | |
| SCHEMBL30972520 | 0.66 | ALDH1A1 (0.43) | TSHRALDH1A1AADATTP53KDM4E | |
| SCHEMBL28850390 | 0.65 | ALDH1A1 (0.54) | CYP1A2CYP3A4ALDH1A1SCN9AMEN1 |
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-0780388-B1 | 5HT1Dalpha and 5HT2A ligands | LILLY CO ELI (GB) | 2001-08-16 | — | — | EP | disclosed |
| US-5773448-A | NERVOUS SYSTEM DISORDERS | ELI LILLY AND COMPANY LIMITED (GB) | 1998-06-30 | — | — | US | disclosed |
| EP-0780388-A1 | 5HT1Dalpha and 5HT2A ligands | LILLY INDUSTRIES LIMITED (GB) | 1997-06-25 | — | — | EP | disclosed |