Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19127320 | 0.87 | ROCK2 (0.42) | ROCK2MEN1KMT2AKDM4EPOLB | |
| SCHEMBL19150234 | 0.77 | MEN1 (0.33) | MEN1KMT2AHTTKDM4ERXFP1 | |
| SCHEMBL23587117 | 0.77 | CYP1A2 (0.42) | ROCK2KMT2AKDM4EPOLBCYP1A2 | |
| SCHEMBL19128153 | 0.70 | MCL1 (0.40) | HTTKDM4ERXFP1L3MBTL1GAA | |
| SCHEMBL18416818 | 0.69 | ALDH1A1 (0.36) | CYP1A2ALDH1A1 | |
| SCHEMBL18416817 | 0.68 | KDM4E (0.38) | KDM4EL3MBTL1ALDH1A1 | |
| SCHEMBL20951634 | 0.67 | ELANE (0.42) | MEN1KMT2AHTTKDM4EPOLB | |
| SCHEMBL24633652 | 0.66 | GAA (0.39) | MEN1KMT2AHTTKDM4EPOLB | |
| SCHEMBL19149922 | 0.65 | RXRA (0.41) | MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL17913300 | 0.65 | MEN1 (0.36) | MEN1KMT2AHTTKDM4EGAA |
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-2017123860-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-07-20 | — | — | WO | disclosed |