Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 4/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | HTR2B | P41595 | 2/20 | 0.48 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | TACR1 | P25103 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9496249 | 0.93 | CHRNA7 (0.58) | CHRNA7HTR2CHTR2AHTR2BDPP4 | |
| SCHEMBL9493175 | 0.92 | DRD2 (0.51) | HTR2CHTR2AHTR2BDPP4DRD2 | |
| Cadaverine Tartrate SCHEMBL9493533 | 0.88 | GRIN2B (0.42) | CHRNA7DPP4CHRNB2CHRNA4HTR3A | |
| Oxalic Acid SCHEMBL9494495 | 0.86 | DRD2 (0.46) | DRD2 | |
| Oxalic Acid SCHEMBL9494045 | 0.85 | CHRNA7 (0.54) | CHRNA7HTR2CHTR2AHTR2BDPP4 | |
| SCHEMBL9494114 | 0.76 | CHRNA7 (0.51) | CHRNA7CHRNB2CHRNA4HTR3A | |
| SCHEMBL9493360 | 0.73 | CHRNA7 (0.61) | CHRNA7HTR2CHTR3ADRD2 | |
| SCHEMBL9469879 | 0.72 | CHRNB2 (0.48) | CHRNA7CHRNB2CHRNA4HTR3A | |
| SCHEMBL13495086 | 0.72 | CHRNB2 (0.48) | CHRNA7CHRNB2CHRNA4HTR3A | |
| SCHEMBL11562608 | 0.71 | DRD2 (0.48) | HTR2CHTR2AHTR2BDPP4DRD2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0492904-A1 | Substituted benzene derivatives for use in the treatment of glaucoma | MERCK SHARP & DOHME LTD. (GB) | 1992-07-01 | — | — | EP | claimed |
| 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-0492904-A1 | Substituted benzene derivatives for use in the treatment of glaucoma | MERCK SHARP & DOHME LTD. (GB) | 1992-07-01 | — | — | EP | 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 |