Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14334507 | 0.88 | AURKA (0.46) | ROCK2RAB9APARP1 | |
| SCHEMBL14334209 | 0.84 | IRAK4 (0.49) | ROCK2RAB9AALDH1A1PARP1 | |
| SCHEMBL23587242 | 0.83 | PARP1 (0.40) | ROCK2RAB9ASMN1; SMN2MEN1NPC1 | |
| SCHEMBL30359409 | 0.81 | ACHE (0.51) | ROCK2RAB9APARP15PARP10PARP1 | |
| SCHEMBL5955514 | 0.81 | ACHE (0.51) | ROCK2RAB9APARP15PARP10PARP1 | |
| SCHEMBL23888987 | 0.80 | MAPT (0.55) | RAB9AMEN1NPC1KMT2AMAPT | |
| SCHEMBL14334748 | 0.78 | ROCK2 (0.47) | ROCK2RAB9ACNR2CNR1 | |
| SCHEMBL23889179 | 0.78 | ROCK2 (0.44) | ROCK2RAB9A | |
| SCHEMBL19150945 | 0.78 | ROCK2 (0.44) | ROCK2RAB9A | |
| SCHEMBL19151045 | 0.78 | NNMT (0.48) | ROCK2CNR2CNR1PARP15PARP10 |
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 4 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 |
| EP-3652167-B1 | SPIROHEPTANYL HYDANTOINS AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2021-06-02 | — | — | EP | disclosed |
| WO-2017123860-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-07-20 | — | — | WO | disclosed |