Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL23462581 | 1.00 | FAAH (0.46) | FAAHMGLLLMNATSHRALDH1A1 | |
| SCHEMBL17269660 | 0.93 | CYP2D6 (0.46) | FAAHMGLLLMNATSHRALDH1A1 | |
| SCHEMBL129523 | 0.87 | PDE1A (0.43) | LMNAALDH1A1PDE5APDE4APDE4B | |
| SCHEMBL28251707 | 0.82 | LMNA (0.51) | FAAHMGLLLMNATSHRALDH1A1 | |
| SCHEMBL28311734 | 0.81 | KDM4E (0.49) | FAAHMGLLLMNATSHRALDH1A1 | |
| SCHEMBL9428914 | 0.81 | FAAH (0.45) | FAAHMGLLLMNATSHRALDH1A1 | |
| SCHEMBL27795170 | 0.81 | ALDH1A1 (0.49) | FAAHMGLLLMNATSHRALDH1A1 | |
| SCHEMBL28097430 | 0.80 | PKM (0.43) | LMNATSHRALDH1A1KDM4EMEN1 | |
| SCHEMBL4954593 | 0.80 | PDE5A (0.49) | FAAHMGLLLMNAPDE5APDE4A | |
| SCHEMBL131465 | 0.79 | PDE1A (0.46) | TSHRALDH1A1KDM4EMAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2019014303-A1 | FIVE MEMBERED-AMINOHETEROCYCLIC AND 5,6-OR 6,6-MEMBERED BICYCLIC AMINOHETEROCYCLIC INHIBITORS OF ROCK FOR THE TREATMENT OF HEART FAILURE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-01-17 | — | — | WO | disclosed |