Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 5/20 | 0.38 |
| ▸ | HRH1 | P35367 | 5/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 4/20 | 0.34 |
| ▸ | BCHE | P06276 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 5/20 | 0.34 |
| ▸ | HTR7 | P34969 | 5/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2529165 | 0.89 | NAMPT (0.38) | HRH2HRH1NAMPTALDH1A1LMNA | |
| SCHEMBL2536830 | 0.87 | HRH2 (0.38) | HRH2HRH1NAMPTALDH1A1LMNA | |
| SCHEMBL15510112 | 0.84 | ACHE (0.35) | ALDH1A1ACHEBCHE | |
| SCHEMBL15509519 | 0.81 | GFER (0.35) | ALDH1A1LMNAACHEBCHE | |
| SCHEMBL15509574 | 0.81 | BRD4 (0.40) | ALDH1A1LMNAACHEBCHEKMT2A | |
| SCHEMBL15509834 | 0.81 | GAA (0.42) | ALDH1A1LMNAKMT2A | |
| SCHEMBL15509695 | 0.80 | PARP1 (0.38) | ACHEBCHEKMT2A | |
| SCHEMBL15509415 | 0.79 | KMT2A (0.36) | ALDH1A1LMNAACHEBCHEKMT2A | |
| SCHEMBL15510199 | 0.78 | FAAH (0.41) | ACHEBCHE | |
| SCHEMBL15509613 | 0.77 | MCL1 (0.42) | ACHEBCHE |
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-2558449-B1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-03-05 | — | — | EP | claimed |