Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.54 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | HRH2 | P25021 | 1/20 | 0.52 |
| ▸ | HTR1B | P28222 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | HTR7 | P34969 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4227974 | 0.77 | CACNA1B (0.59) | BCHECHRM2CHRM4CHRM5ADRA2C | |
| SCHEMBL7413296 | 0.76 | BIRC2 (0.48) | NOTUMHTR3ASLC6A3KMT2ABIRC2 | |
| Hydrochloric Acid SCHEMBL9372774 | 0.75 | BIRC2 (0.48) | NOTUMHTR3ASLC6A3KMT2ABIRC2 | |
| Hydrochloric Acid SCHEMBL7423344 | 0.74 | NPC1 (0.59) | BCHENOTUMCHRM2CHRM4HTR1A | |
| SCHEMBL28008763 | 0.71 | NOTUM (0.63) | BCHENOTUMHTR3ABIRC2CNR2 | |
| SCHEMBL7984446 | 0.71 | NOTUM (0.77) | NOTUMHTR3AKMT2AMEN1BIRC2 | |
| SCHEMBL447187 | 0.70 | NOTUM (1.00) | NOTUMHTR3ABIRC2CNR2ALDH1A1 | |
| SCHEMBL27565401 | 0.69 | NOTUM (0.69) | NOTUMHTR3ABIRC2CNR2 | |
| SCHEMBL26691209 | 0.69 | NOTUM (0.73) | NOTUMHTR3AKMT2AMEN1BIRC2 | |
| SCHEMBL26932396 | 0.69 | NOTUM (0.73) | NOTUMHTR3ABIRC2CNR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993018027-A1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | SMITHKLINE BEECHAM PLC (GB) | 1993-09-16 | — | — | WO | disclosed |