Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 9/20 | 0.69 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.69 |
| ▸ | CHRM4 | P08173 | 7/20 | 0.69 |
| ▸ | CHRM5 | P08912 | 7/20 | 0.69 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL9492436 | 0.94 | CHRM2 (0.62) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| SCHEMBL9493558 | 0.89 | CHRM1 (0.69) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| Oxalic Acid SCHEMBL9492735 | 0.84 | CHRM2 (0.62) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| SCHEMBL9493295 | 0.82 | CHRM1 (1.00) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| SCHEMBL9492525 | 0.79 | KMT2A (0.68) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| SCHEMBL2421988 | 0.78 | KMT2A (0.56) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| SCHEMBL9495378 | 0.78 | CHRM1 (0.60) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| SCHEMBL9492441 | 0.77 | CHRM2 (0.44) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| SCHEMBL9492494 | 0.77 | CHRM1 (0.56) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| SCHEMBL9493275 | 0.76 | KMT2A (0.55) | CHRM1CHRM2CHRM4CHRM5CHRM3 |
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 |