Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | GRM5 | P41594 | 3/20 | 0.34 |
| ▸ | ACACB | O00763 | 2/20 | 0.31 |
| ▸ | ACACA | Q13085 | 2/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20249269 | 0.80 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3GRM5ACACB | |
| SCHEMBL18291645 | 0.80 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3GRM5ACACB | |
| SCHEMBL20037467 | 0.75 | OPRL1 (0.34) | SLC6A2SLC6A4SLC6A3GRM5 | |
| SCHEMBL21423162 | 0.75 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL255556 | 0.70 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CDK4 | |
| Hydrochloric Acid SCHEMBL30327707 | 0.69 | CHRNB2 (0.43) | SLC6A2SLC6A4SLC6A3GRM5 | |
| SCHEMBL20037996 | 0.69 | HTR6 (0.42) | SLC6A2 | |
| SCHEMBL20255364 | 0.69 | TSHR (0.44) | CDK4 | |
| SCHEMBL30329301 | 0.68 | OPRL1 (0.45) | GRM5ACACBACACA | |
| SCHEMBL20037516 | 0.68 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3CDK4 |
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-3305785-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2018-04-11 | — | — | EP | disclosed |