Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | CDK9 | P50750 | 3/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 2/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.33 |
| ▸ | CCND3 | P30281 | 1/20 | 0.33 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | EIF2AK1 | Q9BQI3 | 1/20 | 0.33 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17757258 | 0.91 | HRH4 (0.38) | HRH4CDK9CCNT1FLT3PDE2A | |
| SCHEMBL21982507 | 0.89 | CCNT1 (0.37) | CDK9CCNT1PDE2AGAAMAPT | |
| SCHEMBL17758135 | 0.87 | HRH4 (0.38) | HRH4CDK9CCNT1FLT3GAA | |
| SCHEMBL17758116 | 0.87 | HRH4 (0.39) | HRH4CDK9CCNT1FLT3PDE2A | |
| SCHEMBL17757270 | 0.83 | CCNT1 (0.37) | HRH4CDK9CCNT1FLT3GAA | |
| SCHEMBL17757253 | 0.78 | HRH4 (0.38) | HRH4CDK9CCNT1FLT3PDE2A | |
| SCHEMBL21982521 | 0.77 | CCNT1 (0.37) | CDK9CCNT1PDE2AGAAMAPT | |
| SCHEMBL17757746 | 0.76 | HRH4 (0.42) | HRH4CDK9CCNT1PDE2AMAPT | |
| SCHEMBL17758126 | 0.76 | CCNT1 (0.38) | CCNT1GAAMAPTFYNMAOB | |
| SCHEMBL21982511 | 0.75 | HRH4 (0.42) | HRH4CDK9CCNT1FLT3PDE2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016075137-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2016-05-19 | — | — | WO | disclosed |