Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | FPR3 | P25089 | 1/20 | 0.34 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL6671506 | 0.85 | ALDH1A1 (0.47) | MAPTALDH1A1IDO1GAACYP2D6 | |
| SCHEMBL467157 | 0.82 | — | — | |
| SCHEMBL28648702 | 0.81 | ALDH1A1 (0.44) | MAPTALDH1A1GAAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL27724865 | 0.79 | TSHR (0.48) | MAPTALDH1A1MEN1KMT2ATAAR1 | |
| SCHEMBL28653668 | 0.79 | ALDH1A1 (0.42) | MAPTALDH1A1GAACYP2D6CYP2C9 | |
| SCHEMBL28659480 | 0.79 | ALDH1A1 (0.42) | MAPTALDH1A1GAATAAR1LMNA | |
| SCHEMBL28640842 | 0.78 | TSHR (0.64) | MAPTALDH1A1GAAMEN1KMT2A | |
| SCHEMBL28663846 | 0.76 | GAA (0.56) | MAPTALDH1A1GAAAPPSMN1; SMN2 | |
| SCHEMBL9654351 | 0.75 | KIF11 (0.52) | ALDH1A1MEN1KMT2ATSHRAPP | |
| SCHEMBL13192623 | 0.74 | CA2 (0.46) | MAPTALDH1A1GAACYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113683550-A | Synthesis method of N- (cyano (2-cyano substituted phenyl) methyl) substituted tertiary amine | 兰州大学 | 2021-11-23 | — | — | CN | disclosed |