Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 4/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | LIG1 | P18858 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28890875 | 0.81 | CA2 (0.47) | KMT2ASMN1; SMN2CA2 | |
| SCHEMBL11040315 | 0.67 | CA2 (0.67) | TDP1MGLLGSK3BBACE1KMT2A | |
| SCHEMBL15529908 | 0.62 | — | — | |
| SCHEMBL174752 | 0.60 | MAOB (0.36) | TDP1GSK3BBACE1KMT2ASMN1; SMN2 | |
| SCHEMBL9046538 | 0.59 | GSK3B (0.42) | TDP1GSK3BBACE1KMT2ASMN1; SMN2 | |
| SCHEMBL18873952 | 0.59 | TDP1 (0.50) | TDP1MGLLGSK3BBACE1KMT2A | |
| SCHEMBL2893585 | 0.58 | MAOB (0.44) | TDP1MAOB | |
| SCHEMBL15071304 | 0.58 | MAOB (0.34) | TDP1MAOBCYP19A1LIG1 | |
| SCHEMBL5021254 | 0.58 | MAOB (0.44) | TDP1MAOB | |
| SCHEMBL9244468 | 0.58 | FADS1 (0.42) | TDP1MAOBCYP19A1LIG1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009001203-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2008-12-31 | — | — | WO | disclosed |
| EP-1112259-A4 | PROCESS FOR THE SYNTHESIS OF N-BENZYL-3-(4-FLUOROPHENYL)-1,4-OXAZIN-2-ONE | MERCK & CO INC (US) | 2002-01-09 | — | — | EP | disclosed |
| EP-1112259-A1 | PROCESS FOR THE SYNTHESIS OF N-BENZYL-3-(4-FLUOROPHENYL)-1,4-OXAZIN-2-ONE | Merck & Co., Inc. (a New Jersey corp.) (US) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000015621-A1 | PROCESS FOR THE SYNTHESIS OF N-BENZYL-3-(4-FLUOROPHENYL)-1,4-OXAZIN-2-ONE | MERCK & CO., INC. (US) | 2000-03-23 | — | — | WO | disclosed |