Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.56 |
| ▸ | DHFR | P00374 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28809365 | 0.95 | SLC6A3 (0.50) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL4156194 | 0.95 | SLC6A3 (0.50) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL4158218 | 0.95 | SLC6A3 (0.50) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL10326817 | 0.81 | SLC6A3 (0.59) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL10326815 | 0.81 | SLC6A3 (0.59) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL729266 | 0.81 | SLC6A3 (0.59) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL1794708 | 0.80 | SLC6A3 (0.62) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| Hydrochloric Acid SCHEMBL31327361 | 0.80 | SLC6A3 (0.58) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL1533285 | 0.80 | SLC6A3 (0.62) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL1794707 | 0.80 | SLC6A3 (0.62) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016088838-A1 | PURINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF | 塩野義製薬株式会社 | 2016-06-09 | — | — | WO | disclosed |
| WO-2016084922-A1 | 1,2,4-TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF | 塩野義製薬株式会社 | 2016-06-02 | — | — | WO | disclosed |
| WO-2015156421-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2015-10-15 | — | — | WO | disclosed |