Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 3/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 2/20 | 0.37 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28494634 | 0.89 | CYP1A2 (0.46) | CYP1A2CYP2A6GRM5PPARGAGXT | |
| SCHEMBL28498268 | 0.86 | AGXT (0.47) | PPARGAGXTKMT2AALDH1A1 | |
| SCHEMBL28508566 | 0.81 | AGXT (0.37) | CYP1A2CYP2A6PPARGAGXTMEN1 | |
| SCHEMBL28506988 | 0.81 | AGXT (0.43) | CYP1A2CYP2A6GRM5AGXTMEN1 | |
| SCHEMBL28494629 | 0.80 | MEN1 (0.43) | CYP1A2CYP2A6PPARGAGXTMEN1 | |
| SCHEMBL28494757 | 0.79 | AGXT (0.43) | CYP2A6GRM5AGXTMEN1KMT2A | |
| SCHEMBL28492588 | 0.79 | AGXT (0.43) | CYP2A6GRM5PPARGAGXTMEN1 | |
| SCHEMBL28502062 | 0.73 | AGXT (0.43) | GRM5PPARGAGXTMEN1KMT2A | |
| SCHEMBL11884025 | 0.70 | CYP1A2 (0.95) | CYP1A2CYP2A6PPARGAGXTMEN1 | |
| SCHEMBL27498364 | 0.70 | CYP1A2 (0.95) | CYP1A2CYP2A6PPARGAGXTMEN1 |
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-108424343-B | Allene thiocyanide derivative and synthetic method thereof | 华东师范大学 | 2020-11-20 | — | — | CN | disclosed |