Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESRRG | P62508 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.42 |
| ▸ | HTR3B | O95264 | 4/20 | 0.42 |
| ▸ | HTR3A | P46098 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7232229 | 0.90 | HDAC6 (0.50) | KDM4ESMN1; SMN2NPC1ALDH1A1GLA | |
| SCHEMBL7224991 | 0.88 | ESRRG (0.46) | KDM4ENPC1ALDH1A1HPGDMAPK11 | |
| SCHEMBL7224563 | 0.86 | PTPN1 (0.49) | KDM4ENPC1ALDH1A1HPGDMAPK11 | |
| SCHEMBL7224866 | 0.86 | CTSC (0.40) | KDM4ESMN1; SMN2NPC1ALDH1A1GLA | |
| SCHEMBL7225220 | 0.86 | CHRNA7 (0.39) | KDM4ESMN1; SMN2NPC1ALDH1A1GLA | |
| SCHEMBL7231972 | 0.86 | ESRRG (0.46) | MAPK11MAPK14ESR1ESRRGESR2 | |
| SCHEMBL375517 | 0.85 | CHRNA7 (0.57) | KDM4ESMN1; SMN2NPC1ALDH1A1MAPT | |
| SCHEMBL7223338 | 0.85 | CHRNA7 (0.57) | KDM4ESMN1; SMN2NPC1ALDH1A1MAPT | |
| SCHEMBL7225149 | 0.85 | HTR4 (0.37) | KDM4ESMN1; SMN2NPC1ALDH1A1GLA | |
| SCHEMBL7225345 | 0.85 | CHRNA7 (0.41) | CHRNA7HTR3EHTR3BHTR3AHTR3D |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6562816-B2 | Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | claimed |
| US-6562816-B2 | Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | disclosed |