Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.47 |
| ▸ | TLR2 | O60603 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | METAP2 | P50579 | 2/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27779108 | 0.85 | BACE1 (0.53) | BACE1HDAC1HDAC2TLR2CYP2A6 | |
| SCHEMBL2322461 | 0.82 | BACE1 (0.55) | BACE1HDAC1HDAC2TLR2CYP2A6 | |
| SCHEMBL14925243 | 0.81 | BACE1 (0.53) | BACE1HDAC1HDAC2TLR2CYP2A6 | |
| SCHEMBL30718905 | 0.81 | BACE1 (0.53) | BACE1HDAC1HDAC2TLR2CYP2A6 | |
| SCHEMBL1599323 | 0.81 | BACE1 (0.53) | BACE1HDAC1HDAC2TLR2CYP2A6 | |
| SCHEMBL5050008 | 0.81 | BACE1 (0.53) | BACE1HDAC1HDAC2TLR2CYP2A6 | |
| SCHEMBL1599686 | 0.81 | BACE1 (0.58) | BACE1HDAC1HDAC2TLR2CYP2A6 | |
| SCHEMBL27620530 | 0.79 | BACE1 (0.52) | BACE1HDAC1HDAC2TLR2CYP2A6 | |
| SCHEMBL14756191 | 0.78 | BACE1 (0.55) | BACE1HDAC1HDAC2TLR2CYP2A6 | |
| SCHEMBL1641368 | 0.78 | BACE1 (0.50) | BACE1HDAC1HDAC2TLR2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-8399674-B2 | Quinolines | HOFFMAN-LA ROCHE INC. (US) | 2013-03-19 | — | — | US | disclosed |