Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 3/20 | 0.35 |
| ▸ | CDK8 | P49336 | 3/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | GLS | O94925 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17454440 | 0.91 | CCNC (0.36) | CCNCCDK8GRM4KCNA3GRM2 | |
| SCHEMBL17452720 | 0.88 | HTR2A (0.35) | CCNCCDK8GRM4GRM2HTR2A | |
| SCHEMBL17454520 | 0.85 | NOS3 (0.38) | CCNCCDK8GRM4KCNA3GRM2 | |
| SCHEMBL17452719 | 0.82 | HTR2A (0.38) | GRM4KCNA3GRM2HRH3HTR2A | |
| SCHEMBL19902683 | 0.82 | HRH3 (0.42) | HRH3HTR2AHTR2CALDH1A1 | |
| SCHEMBL19902549 | 0.77 | MET (0.38) | JAK2 | |
| SCHEMBL19675383 | 0.76 | SIGMAR1 (0.38) | HRH3 | |
| SCHEMBL23889078 | 0.75 | ROCK2 (0.39) | ALDH1A1 | |
| SCHEMBL19902395 | 0.74 | THRA (0.37) | MEN1KMT2A | |
| SCHEMBL17454474 | 0.74 | SIGMAR1 (0.42) | HRH3HTR2AHTR2CALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |