Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 7/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.56 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.42 |
| ▸ | CHRNG | P07510 | 1/20 | 0.42 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL9493456 | 0.95 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3OPRD1SLC22A1 | |
| SCHEMBL9492616 | 0.92 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3OPRD1SLC22A1 | |
| Oxalic Acid SCHEMBL9492481 | 0.89 | ALDH1A1 (0.48) | SLC6A4SLC6A2SLC6A3OPRD1SLC22A1 | |
| SCHEMBL9494213 | 0.87 | SLC6A4 (0.54) | SLC6A4SLC6A2SLC6A3OPRD1SLC22A1 | |
| SCHEMBL9492494 | 0.84 | CHRM1 (0.56) | SLC6A4SLC6A2SLC6A3OPRD1SLC22A1 | |
| Oxalic Acid SCHEMBL9495666 | 0.81 | CHRM1 (0.50) | SLC6A4SLC6A2SLC6A3OPRD1SLC22A1 | |
| SCHEMBL9493463 | 0.78 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3OPRD1OPRK1 | |
| SCHEMBL3228160 | 0.76 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL9492487 | 0.72 | SLC6A4 (0.46) | SLC6A4SLC6A2SLC6A3OPRD1OPRM1 | |
| SCHEMBL9264030 | 0.72 | KMT2A (0.54) | CHRM2CHRM1KMT2A |
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 |