Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27656284 | 1.00 | CYP3A4 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23474122 | 0.84 | CYP3A4 (0.44) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22562669 | 0.82 | CYP3A4 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28000938 | 0.80 | SMN1; SMN2 (0.42) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1856161 | 0.80 | CYP3A4 (0.42) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19943572 | 0.80 | CYP3A4 (0.45) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29515201 | 0.80 | CYP3A4 (0.42) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14127344 | 0.80 | SMN1; SMN2 (0.42) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL594060 | 0.80 | CYP3A4 (0.42) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1983382 | 0.78 | CYP3A4 (0.44) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103443074-A | Heterocyclic amine derivatives | HOFFMANN LA ROCHE | 2013-12-11 | — | — | CN | disclosed |
| CN-1653042-A | Aminoalcohol derivatives as beta-3 adrenergic receptor agonists | FUJISAWA PHARMACEUTICAL CO (JP) | 2005-08-10 | — | — | CN | disclosed |