Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | KDM6B | O15054 | 1/20 | 0.34 |
| ▸ | KDM5C | P41229 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8364696 | 0.81 | HTR3A (0.50) | PARP1KDM4EALDH1A1CYP2A6HTR3A | |
| SCHEMBL12284064 | 0.81 | PARP1 (0.48) | PARP1KDM4EALDH1A1CYP2A6MEN1 | |
| SCHEMBL31306041 | 0.81 | MAPT (0.49) | PARP1KDM4EALDH1A1CYP2A6KMT2A | |
| SCHEMBL4644440 | 0.81 | MAPT (0.49) | PARP1KDM4EALDH1A1CYP2A6KMT2A | |
| SCHEMBL2557810 | 0.80 | ATM (0.38) | PARP1KDM4EALDH1A1XDHMEN1 | |
| SCHEMBL12284065 | 0.79 | ALDH1A1 (0.40) | PARP1KDM4EALDH1A1XDHMEN1 | |
| SCHEMBL4011401 | 0.78 | PARP1 (0.46) | PARP1KDM4EALDH1A1CYP2A6MEN1 | |
| SCHEMBL30546095 | 0.78 | PARP1 (0.42) | PARP1KDM4EALDH1A1CYP2A6PTGS2 | |
| SCHEMBL12283422 | 0.78 | PARP1 (0.42) | PARP1KDM4EALDH1A1CYP2A6PTGS2 | |
| SCHEMBL4011405 | 0.77 | PARP1 (0.41) | PARP1KDM4EALDH1A1CYP2A6MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011130383-A1 | COMPOUNDS CONTAINING FUSED RINGS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2011-10-20 | — | — | WO | disclosed |
| WO-2011130383-A1 | COMPOUNDS CONTAINING FUSED RINGS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2011-10-20 | — | — | WO | disclosed |