Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.53 |
| ▸ | MGAM | O43451 | 1/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | OGA | O60502 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6263374 | 1.00 | CYP1A2 (0.53) | CYP1A2UGT2B7MGAMNQO1AKR1C3 | |
| SCHEMBL6264066 | 0.87 | MGAM (0.55) | CYP1A2UGT2B7MGAMAKR1C3AKR1C2 | |
| SCHEMBL2607479 | 0.85 | CYP1A2 (0.57) | CYP1A2UGT2B7MGAMNQO1AKR1C3 | |
| SCHEMBL372349 | 0.85 | CYP1A2 (0.52) | CYP1A2MGAMNQO1PDGFRBPDGFRA | |
| SCHEMBL413133 | 0.83 | KDM4E (0.50) | CYP1A2MGAMNQO1AKR1C3AKR1C2 | |
| Hydrochloric Acid SCHEMBL440306 | 0.82 | ALDH1A1 (0.51) | CYP1A2MGAMNQO1AKR1C3AKR1C2 | |
| SCHEMBL23847796 | 0.81 | CYP1A2 (0.53) | CYP1A2MGAMNQO1AKR1C3AKR1C2 | |
| SCHEMBL20023742 | 0.81 | CYP1A2 (0.53) | CYP1A2MGAMNQO1AKR1C3AKR1C2 | |
| SCHEMBL1253863 | 0.81 | CYP1A2 (0.53) | CYP1A2MGAMNQO1AKR1C3AKR1C2 | |
| SCHEMBL23773965 | 0.81 | CYP1A2 (0.53) | CYP1A2MGAMNQO1AKR1C3AKR1C2 |
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-2017205964-A1 | AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME | UNIVERSITé LAVAL (CA) | 2017-12-07 | — | — | WO | disclosed |