Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 3/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29480990 | 0.74 | POLB (0.68) | POLBTSHRCYP1A2SMN1; SMN2AR | |
| SCHEMBL1786764 | 0.74 | POLB (0.68) | POLBTSHRCYP1A2SMN1; SMN2AR | |
| SCHEMBL20229715 | 0.72 | POLB (0.40) | POLBTSHRARPARP1ROCK2 | |
| SCHEMBL19902371 | 0.72 | TSHR (0.54) | POLBTSHRCYP1A2SMN1; SMN2AR | |
| SCHEMBL25310697 | 0.71 | POLB (0.63) | POLBTSHRCYP1A2SMN1; SMN2AR | |
| SCHEMBL13265509 | 0.69 | POLB (0.65) | POLBTSHRCYP1A2SMN1; SMN2AR | |
| SCHEMBL30319341 | 0.69 | POLB (0.60) | POLBTSHRCYP1A2SMN1; SMN2AR | |
| SCHEMBL16311062 | 0.69 | PRMT5 (0.55) | POLBTSHRSMN1; SMN2ARPARP1 | |
| SCHEMBL13721278 | 0.68 | POLB (1.00) | POLBTSHRCYP1A2SMN1; SMN2AR | |
| SCHEMBL22552378 | 0.68 | POLB (0.59) | POLBTSHRCYP1A2SMN1; SMN2AR |
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 |