Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.51 |
| ▸ | DHFR | P00374 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4776186 | 0.84 | SLC6A2 (0.50) | SLC6A3SLC6A2SLC6A4ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL4776178 | 0.84 | SLC6A2 (0.50) | SLC6A3SLC6A2SLC6A4ALDH1A1LMNA | |
| SCHEMBL27995473 | 0.82 | SLC6A3 (0.51) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| Hydrochloric Acid SCHEMBL28152622 | 0.81 | SLC6A3 (0.52) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| Levofacetoperane SCHEMBL15003778 | 0.81 | SLC6A3 (0.64) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| Levofacetoperane SCHEMBL1651100 | 0.81 | SLC6A3 (0.64) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| Levofacetoperane SCHEMBL49158 | 0.81 | SLC6A3 (0.64) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL28300089 | 0.81 | SLC6A3 (0.54) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL27746441 | 0.79 | SLC6A3 (0.40) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL15243096 | 0.79 | IDO1 (0.51) | SLC6A3SLC6A2SLC6A4LMNATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102638987-A | Combination therapy using a beta 3 adrenergic receptor agonist and an antimuscarinic agent | MERCK SHARP & DOHME | 2012-08-15 | — | — | CN | disclosed |