Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.50 |
| ▸ | BACE1 | P56817 | 2/20 | 0.49 |
| ▸ | DAO | P14920 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5351260 | 0.83 | AKR1B1 (0.51) | AKR1B1DAOCYP1A2PARP1KDM4E | |
| SCHEMBL23929224 | 0.75 | KCNH2 (0.44) | BACE1DAOKCNH2PARP1LMNA | |
| SCHEMBL8481242 | 0.75 | MAPT (0.46) | AKR1B1BACE1CYP1A2KDM4ELMNA | |
| SCHEMBL14719095 | 0.73 | DAO (0.55) | BACE1DAOKCNH2PARP1GPR84 | |
| SCHEMBL8966095 | 0.72 | TUBB4A (0.49) | KDM4E | |
| SCHEMBL6245256 | 0.71 | KCNH2 (0.52) | BACE1DAOCYP1A2KCNH2LMNA | |
| SCHEMBL13495125 | 0.70 | L3MBTL1 (0.47) | BACE1DAOKCNH2LMNAHPGD | |
| SCHEMBL64650 | 0.70 | BACE1 (0.49) | BACE1DAOKCNH2MAOB | |
| SCHEMBL17672395 | 0.70 | HCAR2 (0.60) | DAOKCNH2ALPL | |
| SCHEMBL23929223 | 0.70 | KCNH2 (0.43) | BACE1DAOKCNH2PARP1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-103717609-A | Tricyclic inhibitors of poly (ADP-ribose) polymerase | NEWGEN THERAPEUTICS INC | 2014-04-09 | — | — | CN | disclosed |