Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 6/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 6/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL104919 | 0.78 | ADRB1 (0.33) | ADRB1GRIN2DGRIN3BCHRM2CHRM1 | |
| SCHEMBL3888868 | 0.78 | ADRB1 (0.33) | ADRB1GRIN2DGRIN3BCHRM2CHRM1 | |
| Toluene SCHEMBL28205212 | 0.78 | ADRB1 (0.50) | ADRB1HTR3ASIGMAR1HTR3EHTR3B | |
| Methylpiperazine SCHEMBL27759929 | 0.78 | ADRB1 (0.50) | ADRB1HTR3ASIGMAR1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL2422010 | 0.76 | HPGD (0.33) | ADRB1GRIN2DGRIN3BCHRM2CHRM1 | |
| Bromide SCHEMBL4160212 | 0.76 | ADRB1 (0.32) | ADRB1GRIN2DGRIN3BCHRM2CHRM1 | |
| SCHEMBL22375421 | 0.76 | HIF1A (0.35) | ADRB1GRIN2DGRIN3BCHRM2CHRM1 | |
| SCHEMBL14805909 | 0.76 | HIF1A (0.35) | ADRB1GRIN2DGRIN3BCHRM2CHRM1 | |
| Toluene SCHEMBL5320366 | 0.76 | ACHE (0.65) | ADRB1OPRM1HTR3ASIGMAR1HTR3E | |
| Toluene SCHEMBL11325202 | 0.76 | ACHE (0.65) | ADRB1OPRM1HTR3ASIGMAR1HTR3E |
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 |
|---|---|---|---|---|---|---|---|
| US-3962248-A | PROCESS FOR MAKING 11-PIPERAZINO-DIAZEPINES, OXAZEPINES, THIAZEPINES AND AZEPINES | SANDOZ, INC. (US) | 1976-06-08 | — | — | US | disclosed |