Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 3/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | LTA4H | P09960 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL17454519 | 0.92 | MAOB (0.39) | ROCK2DRD3KDM4EALDH1A1HRH2 | |
| SCHEMBL17452712 | 0.88 | ROCK2 (0.36) | ROCK2DRD3KDM4EALDH1A1LMNA | |
| SCHEMBL20229643 | 0.84 | HTR2A (0.35) | ROCK2DRD3KDM4EALDH1A1LMNA | |
| SCHEMBL19902594 | 0.84 | KDM4E (0.40) | GAASMN1; SMN2ROCK2DRD3KDM4E | |
| SCHEMBL19902686 | 0.83 | SMN1; SMN2 (0.44) | GAASMN1; SMN2ROCK2DRD3KDM4E | |
| SCHEMBL19902561 | 0.83 | SMN1; SMN2 (0.46) | GAASMN1; SMN2DRD3KDM4EALDH1A1 | |
| SCHEMBL21947322 | 0.83 | KDM4E (0.49) | GAASMN1; SMN2DRD3KDM4EALDH1A1 | |
| SCHEMBL19902683 | 0.83 | HRH3 (0.42) | GAASMN1; SMN2ROCK2DRD3KDM4E | |
| SCHEMBL19902320 | 0.82 | GAA (0.46) | GAASMN1; SMN2DRD3KDM4EALDH1A1 | |
| SCHEMBL19997286 | 0.81 | SMN1; SMN2 (0.60) | GAASMN1; SMN2KDM4EALDH1A1LMNA |
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 |