Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CMA1 | P23946 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17920343 | 1.00 | ROCK2 (0.49) | ROCK2PKMCMA1POLBLMNA | |
| SCHEMBL19759551 | 0.92 | CMA1 (0.50) | ROCK2PKMCMA1POLBLMNA | |
| SCHEMBL17920295 | 0.85 | ROCK2 (0.47) | ROCK2PKMCMA1POLBLMNA | |
| SCHEMBL17912954 | 0.84 | ROCK2 (0.60) | ROCK2 | |
| SCHEMBL17920304 | 0.84 | ROCK2 (0.60) | ROCK2 | |
| SCHEMBL17912985 | 0.84 | PKM (0.42) | ROCK2PKMCMA1POLBLMNA | |
| SCHEMBL17912983 | 0.84 | PKM (0.42) | ROCK2PKMCMA1POLBLMNA | |
| SCHEMBL17912991 | 0.83 | PKM (0.48) | ROCK2PKMCMA1POLBLMNA | |
| SCHEMBL19759559 | 0.82 | ROCK2 (0.47) | ROCK2PKMALOX15 | |
| SCHEMBL17912952 | 0.82 | MAPT (0.51) | ROCK2PKMCMA1POLBLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107406426-B | Cyclic ureas as ROCK inhibitors | 百时美施贵宝公司 | 2020-11-20 | — | — | CN | claimed |
| CN-107406426-B | Cyclic ureas as ROCK inhibitors | 百时美施贵宝公司 | 2020-11-20 | — | — | CN | disclosed |
| EP-3242873-B1 | CYCLIC UREAS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-07-22 | — | — | EP | disclosed |