Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 9/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20320096 | 1.00 | SLC6A4 (0.34) | SLC6A4SLC6A2SLC6A3ATMCYP2D6 | |
| SCHEMBL6855085 | 0.82 | — | — | |
| SCHEMBL22991873 | 0.82 | — | — | |
| SCHEMBL25455288 | 0.82 | — | — | |
| SCHEMBL19419598 | 0.82 | — | — | |
| SCHEMBL14431947 | 0.79 | — | — | |
| SCHEMBL16330616 | 0.78 | — | — | |
| SCHEMBL22299107 | 0.78 | — | — | |
| SCHEMBL24756417 | 0.75 | — | — | |
| SCHEMBL21872446 | 0.75 | — | — |
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-2766346-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-03-29 | — | — | EP | disclosed |