Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 4/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24247778 | 0.88 | ROCK2 (0.46) | PDE2AROCK2LMNAMAPTALDH1A1 | |
| SCHEMBL19127394 | 0.88 | LMNA (0.42) | PDE2AROCK2LMNARETALDH1A1 | |
| SCHEMBL19127391 | 0.88 | LMNA (0.42) | PDE2AROCK2LMNARETALDH1A1 | |
| SCHEMBL19128902 | 0.88 | LMNA (0.42) | PDE2AROCK2LMNARETALDH1A1 | |
| SCHEMBL19902397 | 0.87 | PDE2A (0.39) | PDE2AROCK2LMNAMAPTSMN1; SMN2 | |
| SCHEMBL20647180 | 0.86 | HAT1 (0.38) | PDE2AROCK2LMNARET | |
| SCHEMBL20646896 | 0.86 | HAT1 (0.38) | PDE2AROCK2LMNARET | |
| SCHEMBL19128897 | 0.85 | ROCK2 (0.41) | PDE2AROCK2LMNAGAA | |
| SCHEMBL19128899 | 0.85 | ROCK2 (0.41) | PDE2AROCK2LMNAGAA | |
| SCHEMBL24247786 | 0.82 | NR1I2 (0.39) | PDE2AROCK2MAPTSMN1; SMN2GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3954681-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |
| EP-3402790-B1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-10-06 | — | — | EP | disclosed |