Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.52 |
| ▸ | ACACB | O00763 | 6/20 | 0.42 |
| ▸ | ACACA | Q13085 | 6/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.41 |
| ▸ | WNT3A | P56704 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL442649 | 0.73 | CYP2D6 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3ACACB | |
| SCHEMBL414020 | 0.72 | SLC6A2 (0.76) | CYP2D6SLC6A2SLC6A4SLC6A3ACACB | |
| SCHEMBL31581088 | 0.70 | ACACB (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3ACACB | |
| SCHEMBL445754 | 0.70 | CYP2D6 (0.55) | CYP2D6SLC6A2SLC6A4SLC6A3ACACB | |
| SCHEMBL5418713 | 0.69 | ROCK2 (0.58) | CYP2D6SLC6A2SLC6A4SLC6A3NPC1 | |
| SCHEMBL25139625 | 0.69 | CTNNB1 (0.58) | CYP2D6SLC6A2SLC6A4SLC6A3NPC1 | |
| SCHEMBL413631 | 0.68 | SLC6A2 (1.00) | CYP2D6SLC6A2SLC6A4SLC6A3ACACB | |
| SCHEMBL415206 | 0.68 | SLC6A2 (1.00) | CYP2D6SLC6A2SLC6A4SLC6A3ACACB | |
| SCHEMBL415289 | 0.68 | SLC6A2 (1.00) | CYP2D6SLC6A2SLC6A4SLC6A3ACACB | |
| SCHEMBL31581176 | 0.67 | HPGD (0.66) | ACACBACACAKCNH2CTNNB1WNT3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2102157-B1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-06-22 | — | — | EP | claimed |