Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7017274 | 0.85 | ADORA2A (0.39) | ADORA2AADORA1GPR84MTNR1ASIRT2 | |
| SCHEMBL6364085 | 0.81 | KDM4E (0.50) | ADORA2AADORA1GPR84MTNR1AKDM4E | |
| SCHEMBL6359587 | 0.80 | HTR2A (0.49) | HTR2AHTR2CSLC6A4 | |
| Hydrochloric Acid SCHEMBL7023700 | 0.78 | HTR2A (0.48) | HTR2AHTR2CSLC6A4 | |
| SCHEMBL21589017 | 0.73 | ADORA2A (0.40) | ADORA2AADORA1SIRT2KDM4EGMNN | |
| SCHEMBL20769706 | 0.71 | ADORA2A (0.43) | ADORA2AADORA1KDM4ELMNAPKM | |
| SCHEMBL21589019 | 0.69 | ADORA2A (0.40) | ADORA2AADORA1SIRT2KDM4EGMNN | |
| SCHEMBL21273862 | 0.69 | AXL (0.48) | ADORA2AADORA1SIRT2KDM4EGMNN | |
| SCHEMBL20455615 | 0.69 | ADORA2A (0.40) | ADORA2AADORA1SIRT2KDM4EGMNN | |
| SCHEMBL20354739 | 0.69 | ADORA2A (0.40) | ADORA2AADORA1SIRT2KDM4EGMNN |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1178045-B1 | Azaindole-ethylamine derivatives as nicotine acetylchlorine receptor binding agents | PFIZER (US) | 2003-05-28 | — | — | EP | disclosed |
| EP-1178045-A1 | Azaindole-ethylamine derivatives as nicotine acetylchlorine receptor binding agents | PFIZER INC. (US) | 2002-02-06 | — | — | EP | disclosed |
| US-5977131-A | Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents | PFIZER INC. (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0870768-A1 | Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents | PFIZER INC. (US) | 1998-10-14 | — | — | EP | disclosed |