Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 4/20 | 0.43 |
| ▸ | PSMB8 | P28062 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TPH1 | P17752 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14501340 | 0.86 | ESR1 (0.53) | TDP1CNR1POLBALDH1A1MEN1 | |
| SCHEMBL14501333 | 0.86 | ESR1 (0.53) | TDP1CNR1POLBALDH1A1MEN1 | |
| SCHEMBL14947104 | 0.85 | TDP1 (0.47) | PSMB5PSMB8TDP1CTSBPOLB | |
| SCHEMBL20272596 | 0.85 | TDP1 (0.47) | PSMB5PSMB8TDP1CTSBPOLB | |
| SCHEMBL23655507 | 0.84 | HDAC1 (0.40) | ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL2730152 | 0.84 | HPGD (0.41) | SMN1; SMN2ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL9293068 | 0.82 | ESR1 (0.48) | TSHRLMNA | |
| SCHEMBL10069410 | 0.81 | SLC7A5 (0.46) | PSMB5PSMB8TDP1CTSBCNR1 | |
| SCHEMBL14499001 | 0.79 | ACACB (0.50) | PSMB5PSMB8KMT2ATSHRLMNA | |
| SCHEMBL18698817 | 0.79 | ACACB (0.50) | PSMB5PSMB8KMT2ATSHRLMNA |
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-2016071215-A1 | NOVEL 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2016-05-12 | — | — | WO | disclosed |