Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 13/20 | 0.91 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1281689 | 0.95 | KCNH3 (1.00) | KCNH3NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL1923896 | 0.90 | KCNH3 (0.81) | KCNH3NPC1RAB9AHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL540609 | 0.89 | KCNH3 (0.82) | KCNH3SMN1; SMN2CDK9 | |
| Hydrochloric Acid SCHEMBL540872 | 0.89 | KCNH3 (0.82) | KCNH3NPC1RAB9AHTTSMN1; SMN2 | |
| SCHEMBL1924291 | 0.88 | KCNH3 (0.84) | KCNH3NPC1RAB9AHTTMAPK1 | |
| Hydrochloric Acid SCHEMBL540943 | 0.87 | KCNH3 (0.73) | KCNH3NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL5017701 | 0.77 | KCNH3 (0.62) | KCNH3NPC1RAB9AHTTSMN1; SMN2 | |
| SCHEMBL1281719 | 0.72 | KCNH3 (0.97) | KCNH3 | |
| Hydrochloric Acid SCHEMBL541197 | 0.72 | KCNH3 (1.00) | KCNH3 | |
| SCHEMBL1923802 | 0.69 | KCNH3 (0.88) | KCNH3 |
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-2413940-A1 | COMPOSITIONS COMPRISING 2, 4, 6-TRIAMINO-1, 3, 5-TRIAZINE DERIVATIVES FOR TREATMENT OF SCHIZOPHRENIA | Astellas Pharma Inc. (JP) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114163-A1 | COMPOSITIONS COMPRISING 2, 4, 6-TRIAMINO-1, 3, 5-TRIAZINE DERIVATIVES FOR TREATMENT OF SCHIZOPHRENIA | ASTELLAS PHARMA INC. (JP) | 2010-10-07 | — | — | WO | disclosed |