Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9493463 | 0.95 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3ALDH1A1GRIN2B | |
| SCHEMBL9495675 | 0.94 | ALDH1A1 (0.46) | SLC6A4SLC6A2SLC6A3ALDH1A1GRIN2B | |
| Oxalic Acid SCHEMBL9492481 | 0.81 | ALDH1A1 (0.48) | SLC6A4SLC6A2SLC6A3ALDH1A1GRIN2B | |
| Oxalic Acid SCHEMBL9495666 | 0.78 | CHRM1 (0.50) | SLC6A4SLC6A2SLC6A3ALDH1A1MEN1 | |
| SCHEMBL9494634 | 0.77 | SLC6A2 (0.43) | SLC6A4SLC6A2SLC6A3ALDH1A1MEN1 | |
| SCHEMBL9492616 | 0.77 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3ALDH1A1MEN1 | |
| SCHEMBL9493425 | 0.76 | CHRM3 (0.45) | KMT2AOPRD1OPRM1OPRK1OPRL1 | |
| Oxalic Acid SCHEMBL9493456 | 0.76 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3ALDH1A1GRIN2B | |
| SCHEMBL9492441 | 0.76 | CHRM2 (0.44) | ALDH1A1MEN1KMT2AMMP13 | |
| SCHEMBL9492737 | 0.76 | CHRM2 (0.42) | ALDH1A1MEN1KMT2AMMP13 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |