Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 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 | |
|---|---|---|---|---|
| SCHEMBL7832116 | 0.80 | CYP1A2 (0.54) | CYP1A2SLC6A4CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL18792143 | 0.79 | ADRB2 (0.39) | CYP1A2ADRB2CYP3A4CYP2D6ALOX15 | |
| SCHEMBL18769889 | 0.76 | CYP1A2 (0.35) | CYP1A2ADRB2DAOL3MBTL1NR3C1 | |
| SCHEMBL18769849 | 0.76 | ADRB2 (0.56) | ADRB2 | |
| SCHEMBL18769851 | 0.76 | SIGMAR1 (0.46) | SLC6A4ADRB2CYP3A4CYP2D6POLB | |
| SCHEMBL18769857 | 0.74 | OPRK1 (0.56) | CYP1A2SLC6A4ADRB2CYP3A4CYP2D6 | |
| SCHEMBL18769831 | 0.73 | ADRB2 (0.58) | SLC6A4ADRB2CYP3A4CYP2D6 | |
| SCHEMBL30975074 | 0.73 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19DAO | |
| SCHEMBL9519292 | 0.73 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19DAO | |
| SCHEMBL31532953 | 0.71 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C19DAO |
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-2017070052-A1 | COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES | ONCO THERAPIES LLC (US) | 2017-04-27 | — | — | WO | disclosed |