Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.58 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.51 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 4/20 | 0.49 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | HTR2B | P41595 | 2/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9494451 | 0.93 | CHRNA7 (0.49) | CHRNA7CHRNB2CHRNA4HTR3AHTR2C | |
| Oxalic Acid SCHEMBL9494045 | 0.92 | CHRNA7 (0.54) | CHRNA7CHRNB2CHRNA4HTR3AHTR2C | |
| SCHEMBL9493175 | 0.84 | DRD2 (0.51) | HTR2CHTR2AHTR2BDPP4DRD2 | |
| SCHEMBL9494114 | 0.84 | CHRNA7 (0.51) | CHRNA7CHRNB2CHRNA4HTR3A | |
| Cadaverine Tartrate SCHEMBL9493533 | 0.81 | GRIN2B (0.42) | CHRNA7CHRNB2CHRNA4HTR3ADPP4 | |
| SCHEMBL9493360 | 0.81 | CHRNA7 (0.61) | CHRNA7HTR3AHTR2CDRD2 | |
| Oxalic Acid SCHEMBL9494495 | 0.79 | DRD2 (0.46) | DRD2 | |
| SCHEMBL9431093 | 0.78 | CHRNB2 (0.46) | CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL9494509 | 0.78 | MEN1 (0.47) | CHRNA7CHRNB2CHRNA4HTR3A | |
| SCHEMBL9492454 | 0.77 | CHRNA7 (0.51) | CHRNA7DPP4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0412797-A2 | The therapeutic use of substituted benzenes, formulations thereof and novel substituted benzenes | MERCK SHARP & DOHME LTD. (GB) | 1991-02-13 | — | — | EP | claimed |
| US-5177084-A | 1-Azabicycles, Treating Mental Disorders | MERCK SHARP & DOHME LTD. (GB) | 1993-01-05 | — | — | US | disclosed |
| EP-0412797-A2 | The therapeutic use of substituted benzenes, formulations thereof and novel substituted benzenes | MERCK SHARP & DOHME LTD. (GB) | 1991-02-13 | — | — | EP | disclosed |