Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6663687 | 0.88 | CYP11B2 (0.49) | ROCK1CYP2A6CYP3A4CYP2E1CYP19A1 | |
| SCHEMBL6656915 | 0.86 | CYP11B1 (0.50) | CYP2A6CYP3A4CYP2E1CYP19A1MAPT | |
| SCHEMBL8736804 | 0.82 | ROCK1 (0.54) | ROCK1CYP19A1MAPTRXFP1MAOB | |
| SCHEMBL17067770 | 0.82 | FGFR1 (0.51) | ROCK1CYP2A6MAPTRXFP1MAOB | |
| SCHEMBL30364924 | 0.81 | MAPT (0.48) | CYP2A6CYP3A4CYP2E1CYP19A1MAPT | |
| SCHEMBL4232123 | 0.81 | ROCK1 (0.50) | ROCK1CYP2A6CYP3A4CYP2E1CYP19A1 | |
| SCHEMBL8306084 | 0.81 | CYP19A1 (0.53) | CYP2A6CYP3A4CYP2E1CYP19A1CYP11B2 | |
| SCHEMBL2264468 | 0.81 | MAPT (0.48) | CYP2A6CYP3A4CYP2E1CYP19A1MAPT | |
| SCHEMBL21671905 | 0.81 | MAPT (0.51) | CYP2A6CYP3A4CYP2E1CYP19A1MAPT | |
| SCHEMBL6682744 | 0.80 | CYP11B2 (0.50) | CYP2A6CYP3A4CYP2E1CYP19A1MAPT |
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-2915804-A1 | NOVEL AMINE DERIVATIVE OR SALT THEREOF | Toyama Chemical Co., Ltd. (JP) | 2015-09-09 | — | — | EP | disclosed |