Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK13 | O15264 | 2/20 | 0.50 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.50 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESRRG | P62508 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 7/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.39 |
| ▸ | HTR3B | O95264 | 4/20 | 0.39 |
| ▸ | HTR3A | P46098 | 4/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL7223964 | 0.88 | CHRNA7 (0.42) | MAPK13MAPK12MAPK11MAPK14ESR1 | |
| SCHEMBL7243631 | 0.88 | CHRNA7 (0.42) | MAPK13MAPK12MAPK11MAPK14ESR1 | |
| SCHEMBL7243634 | 0.88 | CHRNA7 (0.42) | MAPK13MAPK12MAPK11MAPK14ESR1 | |
| SCHEMBL7224991 | 0.87 | ESRRG (0.46) | MAPK11MAPK14ESR1ESRRGESR2 | |
| SCHEMBL7224866 | 0.87 | CTSC (0.40) | MAPK13MAPK12MAPK11MAPK14ESR1 | |
| SCHEMBL7230436 | 0.86 | CTSS (0.42) | MAPK13MAPK12MAPK11MAPK14ESR1 | |
| SCHEMBL7224299 | 0.85 | NPC1 (0.45) | ESR1ESRRGESR2PTPN1PTPN11 | |
| SCHEMBL7232814 | 0.84 | CHRNA7 (0.37) | MAPK13MAPK12MAPK11MAPK14CHRNA7 | |
| SCHEMBL7231746 | 0.84 | HDAC3 (0.56) | MAPK13MAPK12MAPK11MAPK14CHRNA7 | |
| SCHEMBL7223147 | 0.83 | HDAC1 (0.41) | MAPK11MAPK14CHRNA7HTR3EHTR3B |
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 |