Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHMT2 | P34897 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | WDR5 | P61964 | 3/20 | 0.47 |
| ▸ | AGXT | P21549 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | ATP4A | P20648 | 2/20 | 0.40 |
| ▸ | ATP4B | P51164 | 2/20 | 0.40 |
| ▸ | BRS3 | P32247 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | DDAH1 | O94760 | 2/20 | 0.38 |
| ▸ | ENGASE | Q8NFI3 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.38 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8286805 | 0.82 | AGXT (0.64) | SHMT2KMT2AWDR5AGXTALDH1A1 | |
| SCHEMBL6474161 | 0.72 | SHMT2 (0.51) | SHMT2KMT2AWDR5AGXTALDH1A1 | |
| Quinoline SCHEMBL27543949 | 0.70 | ALDH1A1 (0.81) | KMT2AALDH1A1PDE10AKDM4ECYP1A2 | |
| SCHEMBL15220956 | 0.68 | AGXT (0.48) | SHMT2KMT2AWDR5AGXTALDH1A1 | |
| Quinoline SCHEMBL27818244 | 0.68 | ALDH1A1 (0.94) | KMT2AALDH1A1PDE10AKDM4ECYP1A2 | |
| SCHEMBL29382857 | 0.67 | AGXT (0.66) | SHMT2KMT2AWDR5AGXTALDH1A1 | |
| SCHEMBL1060082 | 0.67 | AGXT (0.66) | SHMT2KMT2AWDR5AGXTALDH1A1 | |
| SCHEMBL154027 | 0.67 | AGXT (0.66) | SHMT2KMT2AWDR5AGXTALDH1A1 | |
| Quinoline SCHEMBL28181062 | 0.67 | ALDH1A1 (0.74) | KMT2AALDH1A1PDE10AKDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL15538954 | 0.67 | AGXT (0.49) | SHMT2KMT2AWDR5AGXTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5945425-A | ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE | G.D. SEARLE & CO. (US) | 1999-08-31 | — | — | US | disclosed |