Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.46 |
| ▸ | VEGFA | P15692 | 1/20 | 0.45 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.42 |
| ▸ | STS | P08842 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20570945 | 0.88 | VEGFA (0.52) | VEGFAEGLN1MEN1KMT2AMAPK8 | |
| SCHEMBL2379018 | 0.83 | THRB (0.52) | SIGMAR1VEGFAEGLN1MEN1KMT2A | |
| SCHEMBL20570965 | 0.83 | SIGMAR1 (0.41) | SIGMAR1CYP1A2CYP2D6TMEM97VEGFA | |
| SCHEMBL20569881 | 0.82 | SIGMAR1 (0.55) | SIGMAR1CYP1A2CYP2D6TMEM97MEN1 | |
| SCHEMBL2378962 | 0.81 | SIGMAR1 (0.49) | SIGMAR1MEN1KMT2AHTR2AACKR3 | |
| SCHEMBL6822757 | 0.80 | VEGFA (0.45) | SIGMAR1VEGFAEGLN1MEN1KMT2A | |
| SCHEMBL2850833 | 0.79 | KDM1A (0.48) | SIGMAR1VEGFAEGLN1MEN1KMT2A | |
| SCHEMBL15567036 | 0.79 | KMT2A (0.50) | VEGFAEGLN1MEN1KMT2AACKR3 | |
| SCHEMBL17444604 | 0.79 | HRH3 (0.56) | SIGMAR1ACKR3CHRM2CHRM4CHRM1 | |
| SCHEMBL1332850 | 0.79 | CHRM3 (0.56) | SIGMAR1TMEM97MEN1KMT2ACHRM3 |
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-3634404-A1 | PYRAZOLE MAGL INHIBITORS | Lundbeck La Jolla Research Center, Inc. (US) | 2020-04-15 | — | — | EP | disclosed |
| WO-2018217809-A1 | PYRAZOLE MAGL INHIBITORS | ABIDE THERAPEUTICS, INC. (US) | 2018-11-29 | — | — | WO | disclosed |