Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PRCP | P42785 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | FABP6 | P51161 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | LIG1 | P18858 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3769660 | 0.82 | CYP19A1 (0.39) | CYP19A1 | |
| SCHEMBL9051041 | 0.81 | SLC6A2 (0.44) | PRCPKDM1AGAAKDM4EALDH1A1 | |
| SCHEMBL27093592 | 0.78 | TSHR (0.34) | GAAGSK3BRAB9A | |
| SCHEMBL15111039 | 0.73 | SLC6A2 (0.38) | PRCPKDM1AGAAKDM4EALDH1A1 | |
| Oxazolidine SCHEMBL14720881 | 0.71 | SLC6A2 (0.36) | PRCPKDM1AGAAKDM4EALDH1A1 | |
| SCHEMBL7912634 | 0.70 | CYP19A1 (0.45) | TDP1KDM1ACYP19A1ALDH1A1LMNA | |
| SCHEMBL380027 | 0.70 | TDP1 (0.50) | TDP1PRCPKDM1AMGLLGAA | |
| SCHEMBL1533278 | 0.70 | CYP19A1 (0.45) | TDP1KDM1ACYP19A1ALDH1A1LMNA | |
| SCHEMBL9786155 | 0.70 | TDP1 (0.50) | TDP1PRCPKDM1AMGLLGAA | |
| SCHEMBL7907442 | 0.70 | CYP19A1 (0.45) | TDP1KDM1ACYP19A1ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105837526-A | Preparation method of important intermediate (2S, 3R)-4-benzyl-3-(4-fluorophenyl)morpholine-2-ol for aprepitant synthesis | 浙江工业大学 | 2016-08-10 | — | — | CN | claimed |
| CN-105837526-A | Preparation method of important intermediate (2S, 3R)-4-benzyl-3-(4-fluorophenyl)morpholine-2-ol for aprepitant synthesis | 浙江工业大学 | 2016-08-10 | — | — | CN | disclosed |
| CN-1067683-C | Substituted morpholine derivatives and their use as therapeutic agents | MERK SHARP & DOHME LTD (GB) | 2001-06-27 | — | — | CN | disclosed |
| CN-1139927-A | Substituted morpholine derivatives and their use as therapeutic agents | MERK SHARP & DOHME LTD (GB) | 1997-01-08 | — | — | CN | disclosed |