Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.43 |
| ▸ | LNPEP | Q9UIQ6 | 2/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22170215 | 0.89 | MAOB (0.57) | MAOAMAOBCYP19A1SIGMAR1GRM2 | |
| Hydrochloric Acid SCHEMBL8986176 | 0.84 | MAOA (0.47) | MAOAMAOBCYP19A1SIGMAR1GRM2 | |
| SCHEMBL17791449 | 0.83 | MAOA (0.44) | MAOAMAOBCYP19A1SIGMAR1GRM2 | |
| SCHEMBL29436975 | 0.80 | MAOB (0.71) | MAOAMAOBCYP19A1SIGMAR1CYP3A4 | |
| SCHEMBL18045550 | 0.80 | MAOB (0.71) | MAOAMAOBCYP19A1SIGMAR1CYP3A4 | |
| SCHEMBL1026806 | 0.80 | MAOB (0.71) | MAOAMAOBCYP19A1SIGMAR1GRM2 | |
| SCHEMBL29437072 | 0.80 | MAOB (0.71) | MAOAMAOBCYP19A1SIGMAR1GRM2 | |
| SCHEMBL28770903 | 0.78 | MAOB (0.68) | MAOAMAOBCYP19A1SIGMAR1CYP3A4 | |
| SCHEMBL30637158 | 0.78 | MAOB (0.68) | MAOAMAOBCYP19A1SIGMAR1CYP3A4 | |
| SCHEMBL30211975 | 0.78 | MAOB (0.68) | MAOAMAOBCYP19A1SIGMAR1CYP3A4 |
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-3113772-A1 | HUMAN PLASMA KALLIKREIN INHIBITORS | Biocryst Pharmaceuticals, Inc. (US) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015134998-A1 | HUMAN PLASMA KALLIKREIN INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2015-09-11 | — | — | WO | disclosed |