Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 SCHEMBL6675224 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP2A6MAPTTSHRHPGD | |
| SCHEMBL28650478 | 0.81 | MAPT (0.42) | ALDH1A1MAPTSMN1; SMN2TSHRHPGD | |
| SCHEMBL28659480 | 0.81 | ALDH1A1 (0.42) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28653668 | 0.81 | ALDH1A1 (0.42) | ALDH1A1MAPTHTTNPC1RAB9A | |
| SCHEMBL44533 | 0.81 | — | — | |
| SCHEMBL28640842 | 0.80 | TSHR (0.64) | ALDH1A1MAPTHTTSMN1; SMN2POLB | |
| Hydrochloric Acid SCHEMBL2866389 | 0.78 | MAPT (0.50) | ALDH1A1MAPTPOLBTSHRHPGD | |
| SCHEMBL28663846 | 0.78 | GAA (0.56) | ALDH1A1MAPTHTTNPC1RAB9A | |
| SCHEMBL28649867 | 0.77 | LOXL2 (0.61) | ALDH1A1CYP2A6MAPTHTTNPC1 | |
| SCHEMBL18951277 | 0.75 | MAPT (0.48) | ALDH1A1CYP2A6MAPTHTTNPC1 |
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 |