Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GPR68 | Q15743 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 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 | |
|---|---|---|---|---|
| SCHEMBL540957 | 0.78 | KCNH3 (0.86) | KCNH3SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL27609444 | 0.77 | MAOA (0.60) | NPC1RAB9ASMN1; SMN2HTTKDM4E | |
| SCHEMBL536394 | 0.75 | KCNH3 (0.52) | KCNH3GPR68NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3301514 | 0.71 | NPSR1 (0.74) | KCNH3CA1CA2CA9NPSR1 | |
| SCHEMBL1923771 | 0.69 | KCNH3 (0.82) | KCNH3KDM4EGAA | |
| SCHEMBL29167130 | 0.69 | CA1 (0.57) | KCNH3CA1CA2CA9NPSR1 | |
| Hydrochloric Acid SCHEMBL9247173 | 0.69 | NPSR1 (0.72) | KCNH3CA1CA2CA9NPSR1 | |
| SCHEMBL380440 | 0.69 | CA1 (0.47) | CA1CA2CA9NPSR1GPR68 | |
| SCHEMBL5906873 | 0.69 | CA1 (0.42) | CA1CA2CA9NPSR1GPR68 | |
| SCHEMBL15294300 | 0.67 | CA1 (0.41) | CA1CA2CA9NPSR1GPR68 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2414351-A1 | NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE | Astellas Pharma Inc. (JP) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114162-A1 | NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE | ASTELLAS PHARMA INC. (JP) | 2010-10-07 | — | — | WO | disclosed |