Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 10/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 5/20 | 0.39 |
| ▸ | HTR3B | O95264 | 5/20 | 0.39 |
| ▸ | HTR3A | P46098 | 5/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 5/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 5/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESRRG | P62508 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7223510 | 0.93 | NPC1 (0.52) | NPC1RAB9ACHRNA7TAS1R3TAS1R1 | |
| Hydrochloric Acid SCHEMBL7231904 | 0.91 | NPC1 (0.51) | NPC1RAB9ACHRNA7TAS1R3TAS1R1 | |
| SCHEMBL7232814 | 0.88 | CHRNA7 (0.37) | NPC1RAB9ACHRNA7HTR3EHTR3B | |
| SCHEMBL7230458 | 0.87 | NPC1 (0.38) | NPC1RAB9ACHRNA7HTR3EHTR3B | |
| SCHEMBL7224991 | 0.86 | ESRRG (0.46) | NPC1RAB9ACHRNA7HTR3EHTR3B | |
| SCHEMBL7224322 | 0.86 | CHRNA7 (0.40) | RAB9ACHRNA7HTR3EHTR3BHTR3A | |
| SCHEMBL7226078 | 0.85 | NPC1 (0.38) | NPC1RAB9ACHRNA7HTR3EHTR3B | |
| SCHEMBL7231162 | 0.85 | NPC1 (0.43) | NPC1RAB9ATAS1R3TAS1R1F10 | |
| SCHEMBL7225345 | 0.85 | CHRNA7 (0.41) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7232316 | 0.85 | NPC1 (0.43) | NPC1RAB9ATAS1R3TAS1R1F10 |
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 |