Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL20201658 | 0.85 | AKR1B1 (0.46) | AKR1B1HTTCYP1A2NISCHNFE2L2 | |
| SCHEMBL25685748 | 0.83 | AKR1B1 (0.42) | AKR1B1NPSR1ALDH1A1LMNATHRB | |
| SCHEMBL18757121 | 0.81 | HCAR3 (0.36) | ALDH1A1LMNAHCAR3HTTCRHR1 | |
| SCHEMBL1339989 | 0.78 | TDP1 (0.43) | ALDH1A1THRBHCAR3TDP1 | |
| SCHEMBL21324919 | 0.77 | CYP1A2 (0.38) | NPSR1ALDH1A1HCAR3CYP1A2CYP2D6 | |
| SCHEMBL20201877 | 0.77 | CRHR1 (0.35) | LMNAHCAR3CRHR1KDM4E | |
| SCHEMBL18231699 | 0.77 | HCAR3 (0.42) | HCAR3HTTCRHR1ESR1TDP1 | |
| SCHEMBL17269560 | 0.76 | AKR1B1 (0.47) | AKR1B1ALDH1A1THRBHTTCYP1A2 | |
| SCHEMBL12046931 | 0.75 | ACHE (0.47) | NPSR1ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL20201656 | 0.75 | AKR1B1 (0.44) | AKR1B1ALDH1A1LMNAHTTNISCH |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018098208-A1 | NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2018-05-31 | — | — | WO | disclosed |