Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL28494634 | 0.90 | CYP1A2 (0.46) | AGXTPOLBGRM5TDP1KDM4E | |
| SCHEMBL28498268 | 0.89 | AGXT (0.47) | AGXTTDP1KDM4EMAPK1ALOX5 | |
| SCHEMBL28492588 | 0.87 | AGXT (0.43) | AGXTGRM5TDP1KDM4EMAPK1 | |
| SCHEMBL28494757 | 0.87 | AGXT (0.43) | AGXTGRM5TDP1KDM4EMAPK1 | |
| SCHEMBL28904495 | 0.81 | CYP1A2 (0.46) | AGXTGRM5MEN1KMT2ACYP2A6 | |
| SCHEMBL28508566 | 0.80 | AGXT (0.37) | AGXTPOLBTDP1KDM4EMAPK1 | |
| SCHEMBL28494629 | 0.78 | MEN1 (0.43) | AGXTTDP1KDM4EMAPK1ALOX5 | |
| SCHEMBL28502062 | 0.76 | AGXT (0.43) | AGXTGRM5TDP1KDM4EMAPK1 | |
| SCHEMBL5701649 | 0.75 | KDM4E (0.50) | AGXTPOLBTDP1KDM4EMAPK1 | |
| SCHEMBL7960647 | 0.72 | AGXT (0.53) | AGXTTDP1KDM4EMAPK1ALOX5 |
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 |