Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 10/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 5/20 | 0.36 |
| ▸ | HTR3B | O95264 | 5/20 | 0.36 |
| ▸ | HTR3A | P46098 | 5/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 5/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESRRG | P62508 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7232161 | 0.89 | CHRNA7 (0.38) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7230457 | 0.87 | CHRNA7 (0.37) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7233633 | 0.85 | ITK (0.39) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7224299 | 0.83 | NPC1 (0.45) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7225477 | 0.82 | CHRNA7 (0.36) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7224991 | 0.81 | ESRRG (0.46) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7233692 | 0.81 | TXK (0.36) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7223510 | 0.81 | NPC1 (0.52) | CHRNA7NPC1RAB9ASLC6A2SLC6A4 | |
| SCHEMBL7224346 | 0.81 | SLC6A3 (0.33) | NPC1RAB9ATP53HPGDTSHR | |
| SCHEMBL7233342 | 0.81 | NPC1 (0.33) | NPC1RAB9ATP53HPGDTSHR |
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 |