Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9465554 | 0.80 | BCHE (0.49) | CYP3A4KDM4EMAPTALDH1A1CYP1A2 | |
| SCHEMBL9366877 | 0.77 | TP53 (0.44) | MAOBIDO1CYP3A4KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL11149712 | 0.75 | TP53 (0.42) | MAOBIDO1CYP3A4KDM4EMAPT | |
| SCHEMBL28672152 | 0.74 | IDO1 (0.46) | MAOAIDO1CYP3A4KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL28151854 | 0.73 | TP53 (0.41) | MAOBIDO1CYP3A4KDM4EMAPT | |
| SCHEMBL18962146 | 0.72 | CYP3A4 (0.46) | MAOBIDO1CYP3A4KDM4EMAPT | |
| SCHEMBL9465773 | 0.71 | MAOA (0.38) | MAOBMAOACTSKCYP3A4KDM4E | |
| Acetonitrile SCHEMBL28296993 | 0.71 | MAOB (0.44) | MAOBMAOAIDO1CYP3A4KDM4E | |
| Propionitrile SCHEMBL27536393 | 0.71 | MAOA (0.44) | MAOBMAOAIDO1CYP3A4KDM4E | |
| SCHEMBL23133070 | 0.71 | SIGMAR1 (0.46) | ALDH1A1MAPK1 |
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-0378707-A1 | AMINOACETONITRILE DERIVATIVES. | NIPPON SODA CO (JP) | 1990-07-25 | — | — | EP | disclosed |
| WO-1990000543-A1 | AMINOACETONITRILE DERIVATIVES | NIPPON SODA CO., LTD. (JP) | 1990-01-25 | — | — | WO | disclosed |